Re: [ccp4bb] monomer-dimer

2010-08-11 Thread Anastassis Perrakis
Dear all, If I may add that I find the statement First, remember that gel filtration elution volumes are independent of conditions like flow rate and protein concentration (unless there are nonspecific interactions at high concentration), but like I described before temp is a factor. a

Re: [ccp4bb] To view the 2mFo-DFc map generated by SIGMAA

2010-08-11 Thread Eleanor Dodson
Actually I think it needs the labels FWT PHWT I may be wrong but like REFMAC I think it outputs a ositive FWT and PHWT is either equal to PHIC or to PHHIC+180, depending on the sign og FWT = (2m|Fo| - D|Fc|) Eleanor Hailiang Zhang wrote: Dear Tim: This is also what I thought. Thanks!

[ccp4bb] About using COOT

2010-08-11 Thread Dr. STEPHEN SIN-YIN, CHUI
Dear all, My protein has two chains A B. The space gp is P212121. If I want to have a new PDB file containing the symmetry-equivalent molecule of B (x+1/2, -y+1/2, z+(0 -1 0)), and keep the chain A (x,y,z) unchanged. How can I do this COOT? many thanks for this help. stephen -- Dr. Stephen

Re: [ccp4bb] To view the 2mFo-DFc map generated by SIGMAA

2010-08-11 Thread Randy Read
Hi Eleanor, I hate to disagree with you, even partially, but it depends on whether or not you're doing phase combination with external phases. In the usual case with just model information, SIGMAA doesn't take the absolute value of 2mFo-DFc so it can be positive or negative and goes with the

[ccp4bb] process data in R32

2010-08-11 Thread Ray Brown
Hi, I have read all of the past messages about the confusion of H32 and R32 and I want to get the correct indexing sp that I can import the .sca file into CCP4.. I use DENZO and SCALEPACK in HKL2000. If you read the manual then it states that space group R32 should only be autoindexed by

Re: [ccp4bb] monomer-dimer

2010-08-11 Thread Maia Cherney
Thank you. Now I understand the difference. I thought there was separation. Maia Xuewu Zhang wrote: Hi Maia, I have seen your post regarding this before and I just want to point out that you may have confused AUC (analytical ultracentrifugation) with gradient-based ultra-centrifugation

Re: [ccp4bb] monomer-dimer

2010-08-11 Thread Maia Cherney
Hi ccp4bb Could you please send me some references with the sedimentation equilibrium calculations of Kd, monomer/dimer ratio etc. Maia Maia Cherney wrote: Thank you. Now I understand the difference. I thought there was separation. Maia Xuewu Zhang wrote: Hi Maia, I have seen your post

[ccp4bb] advice for processing data from multiple small wedges

2010-08-11 Thread Tony Wu
I am having problems processing data from multiple wedges of 5-20 degrees each. I am working with data from microcrystals collected at a minibeam. I want to use the data for molecular replacement. I can usually only collect about 10-15 frames before the crystal is obviously radiation

Re: [ccp4bb] monomer-dimer

2010-08-11 Thread Kushol Gupta
Hi Maia, this review and website might be a good place to start: http://analyticalultracentrifugation.com/images/AUCinProteinScience.pdf http://analyticalultracentrifugation.com/default.htm Kushol Kushol Gupta, Ph.D. Research Associate Van Duyne Laboratory - HHMI/Univ. of Pennsylvania School

Re: [ccp4bb] monomer-dimer

2010-08-11 Thread Michael Thompson
I agree completely with Anastassis that the equilibrium will be effected by changing the concentration of the sample during gel filtration, however I wanted to point out that the elution volumes of the two species are independent of their populations. I apologize if I was misleading. Mike

[ccp4bb] calculating solvent volume from molecular surfaces

2010-08-11 Thread Alastair Fyfe
Does anyone know of software that will segment a unit cell into volume internal/external to a calculated molecular surface ? thanks! Alastair Fyfe