Re: [ccp4bb] Question about small molecule crystallography

Correction: It should read "with the detector almost but not quite hitting the source." On 02.07.20 17:13, Navdeep Sidhu wrote: > Alexander Blake wrote a nice chapter on small-molecule crystallization > in this book, if you run into problems in the crystallization stage: > > Alexander Blake.

Re: [ccp4bb] Question about small molecule crystallography

Alexander Blake wrote a nice chapter on small-molecule crystallization in this book, if you run into problems in the crystallization stage: Alexander Blake. Crystal growth and evaluation (Chapter 3). In Clegg, William (Ed.) Crystal Structure Analysis: Principles and Practice. 2nd Edition.

Re: [ccp4bb] Question about small molecule crystallography

It's not all that hard to exceed it with a protein crystal too. A 50 um wide lysozyme crystal sitting in a 50x50um beam will scatter into a single spot up to: I = 7e-14*flux*(F/mosaic)^2 Where I is in photons/s flux is incident photons/s mosaic is in deg F is the structure factor of the

Re: [ccp4bb] Question about small molecule crystallography

Hi Jon Ambiguous phrasing, perhaps - the detector has a maximum count rate, as events per second, and it is easy to exceed this with a good quality small molecule crystal on an undulator beamline thus under record the intensity of strong reflections Best wishes Graeme On 8 Jun 2020, at

Re: [ccp4bb] Question about small molecule crystallography

Re: "it turns out to be very very easy to exceed the count rate where the detector electronics can keep up."Sorry if this is obvious, but I take it you mean "_can't_" keep up?Jon CooperOn 4 Jun 2020 13:06, "Winter, Graeme (DLSLtd,RAL,LSCI)" wrote: Dear All, A small word of caution regarding

Re: [ccp4bb] Question about small molecule crystallography

Dear All, A small word of caution regarding chemical crystallography on an MX-like beamline - if you have a bright source, a well diffracting crystal and a pixel array detector it is perfectly possible to lose counts in the strongest reflections without noticing - certainly without going over

Re: [ccp4bb] Question about small molecule crystallography

Dear Jiyuan, maybe I can add something from the small molecule crystallographer view :-) Crystallization: For crystallization of small molecules you normally use solvents and water or mixtures as mentioned already before. At my lab the most successful way to crystallise is evaporation. Please

Re: [ccp4bb] Question about small molecule crystallography

Dear Jiyuan, There was a similar question on the bulletin board some 6 years ago; my response then (links below) complements some of the other great suggestions already made in answer to your question: , and

Re: [ccp4bb] Question about small molecule crystallography

Dear Jiyuan, May I make some advertisement for our tutorial, we published some time ago? Our article "Some thoughts about the single crystal growth of small molecules" (https://pubs.rsc.org/en/content/articlelanding/2012/ce/c1ce05624g#!divAbstract) should exactly answer most of your questions.

Re: [ccp4bb] Question about small molecule crystallography

Hi Jiyuan, I don't have much to add on the small molecule crystallization advice, but I will put in another plug for electron diffraction (microED). You could first check to see if you already have microcrystal by performing some X-ray powder diffraction or XRPD (many CROs offer this service). If

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] Question about small molecule crystallography

Gruene Sent: Tuesday, June 2, 2020 4:37 AM To: CCP4BB@JISCMAIL.AC.UK Subject: [EXTERNAL] Re: [ccp4bb] Question about small molecule crystallography Dear Francois, provided you are not restricted to the trademark term 'microED', but open minded to include '3D electron crystallography

Re: [ccp4bb] Question about small molecule crystallography

Dear Francois, provided you are not restricted to the trademark term 'microED', but open minded to include '3D electron crystallography', there are plenty of published structures of small compounds, both organic and inorganic. Several of them date back to 2005, and include complex structures like

Re: [ccp4bb] Question about small molecule crystallography

Hi everyone Pr Tamir gonen (UCLA, los Angeles) have solved (not published) few chemical compounds structures with mircoED. And, the more important is that crystals were present in the powder (whatever condtions to get it (preciptation, evaporation ..). I have myself test with 2 powders

Re: [ccp4bb] Question about small molecule crystallography

> From: CCP4 bulletin board on behalf of Artem > Evdokimov > Sent: Tuesday, June 2, 2020 8:07 AM > To: CCP4BB@JISCMAIL.AC.UK > Subject: Re: [ccp4bb] Question about small molecule crystallography > > Hi > > A small organic molecule is typically crystallized from

Re: [ccp4bb] Question about small molecule crystallography

bulletin board on behalf of Artem Evdokimov Sent: Tuesday, June 2, 2020 8:07 AM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Question about small molecule crystallography Hi A small organic molecule is typically crystallized from organic solvents (or water, if soluble) by means of at least

Re: [ccp4bb] Question about small molecule crystallography

Hi A small organic molecule is typically crystallized from organic solvents (or water, if soluble) by means of at least three main techniques: 1. slow evaporation of solvent leading to supersaturation and eventual crystallization 2. supersaturation at higher temperature followed by gradual drop

[ccp4bb] Question about small molecule crystallography

Hi Everyone, I want to crystallize a small organic molecule. I have very limited experience in small molecule crystallography. I found that the Crystal Screen HT from the Hampton research is good for both small molecule and macromolecule crystallization. Plan to set up a sitting drop screen just