Re: [ccp4bb] Mosflm : data process of crystal with huge unit cell

2008-05-22 Thread Matthew . Franklin
CCP4 bulletin board wrote on 05/22/2008 10:47:24 AM: > Dear All > > I am processing data from a crystal for a large macromolecular complex > with mosflm. Cell dimensions are around 120 x 150 x 650, with a p222 > spacegroup. To avoid overlaps, we have collected data with a oscillation > of 0.1 de

Re: [ccp4bb] Mosflm : data process of crystal with huge unit cell

2008-05-22 Thread Juergen Bosch
Hi Francisco, you could try using these keywords in Mosflm: POSTREF WIDTH 3 #since you have 0.1 degree oscillation and Mosflm can only handle 30 images at once, the default I believe is 5 images if I'm not mistaken SEPARATION CLOSE PROFILE RMSBG 25 POSTREF USEBEAM Then I would start indexing

Re: [ccp4bb] Mosflm : data process of crystal with huge unit cell

2008-05-22 Thread Gerard Bricogne
Dear Francisco, With a c axis of 650 Angs your phi-overlap problem is severe. When this axis is close to being parallel to the beam, the angular distance in radians between h,k,l and h,k,l+1 for a reflection hkl close to the top or bottom of an image is the angle spanned by c* viewed at a dis

Re: [ccp4bb] Mosflm : data process of crystal with huge unit cell

2008-05-22 Thread Jacob Keller
AIL PROTECTED]> To: Sent: Thursday, May 22, 2008 9:47 AM Subject: [ccp4bb] Mosflm : data process of crystal with huge unit cell Dear All I am processing data from a crystal for a large macromolecular complex with mosflm. Cell dimensions are around 120 x 150 x 650, with a p222 spacegroup. To

Re: [ccp4bb] Mosflm : data process of crystal with huge unit cell

2008-05-22 Thread Gerard Bricogne
Dear Francisco, It seems that you are encountering the so-called "phi-overlap" problem, which would be quie acute when your very long c axis gets close to being parallel to the beam. In this case, even if you are doing fine slicing as you are doing here with 0.1 degree images, the mosaicity o

Re: [ccp4bb] Mosflm : data process of crystal with huge unit cell

2008-05-22 Thread Marian Szebenyi
Franciso, Mosflm does not do a good job refining mosaicity for narrow oscillation ranges such as you used. I would set the mosaicity to a value that predicts a number of spots that matches what you actually see and keep it fixed. Depending on how large your mosaicity actually is, mosflm may a

Re: [ccp4bb] Mosflm : data process of crystal with huge unit cell

2008-05-22 Thread Winter, G (Graeme)
CTED] Sent: Thu 22/05/2008 3:47 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Mosflm : data process of crystal with huge unit cell Dear All I am processing data from a crystal for a large macromolecular complex with mosflm. Cell dimensions are around 120 x 150 x 650, with a p222 spacegroup.

[ccp4bb] Mosflm : data process of crystal with huge unit cell

2008-05-22 Thread fenguita
Dear All I am processing data from a crystal for a large macromolecular complex with mosflm. Cell dimensions are around 120 x 150 x 650, with a p222 spacegroup. To avoid overlaps, we have collected data with a oscillation of 0.1 degrees. When I try to process the data with mosflm, mosaicity decr