[ccp4bb] How to refine large moleculars?

2008-01-07 Thread Yongchao Li
I have a large molecule to refine.There are about three thousand residues in one asymmetric unit. Except for the lack of electron densities in several places, where the loops have been deleted, the rest parts fits well with density. But the R free and R work are all beyond 0.30 (R free = 0.35,

[ccp4bb] complement on how to refine large moleculars.

2008-01-07 Thread Yongchao Li
The space group is P212121 There are four chains in one asymmetric unit: two A chains and two B chains. - Never miss a thing. Make Yahoo your homepage.

Re: [ccp4bb] How to refine large moleculars?

2008-01-08 Thread Yongchao Li
Dear all, Thanks for all replies. After water addition, R work is 0.27 and R free 0.33. TLS and NCS results no significant approve. Space group seem right, other space group like P21212 is worse. >From truncate result, it is not twinning. More detail is below: space group P212121 a=150.099 b=148.