Resolution: 1.4→1.48 Å / Redundancy: 6 % / Rmerge(I) obs: 0.583 / Mean I/σ(I) obs: 2.9 / Rpim(I) all: 0.256 / Rrim(I) all: 0.639 / % possible all: 97
-
Phasing
Phasing
Method: molecular replacement
-
Processing
Software
Name
Version
Classification
REFMAC
5.7.0029
refinement
HKL-2000
datacollection
SCALA
3.3.22
datascaling
Coot
modelbuilding
PDB_EXTRACT
3.22
dataextraction
iMOSFLM
datareduction
MOLREP
phasing
HKL
datareduction
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.4→20 Å / Cor.coef. Fo:Fc: 0.971 / Cor.coef. Fo:Fc free: 0.962 / SU B: 1.86 / SU ML: 0.033 / Cross valid method: THROUGHOUT / ESU R: 0.068 / ESU R Free: 0.058 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.17155
1173
4.9 %
RANDOM
Rwork
0.14366
-
-
-
obs
0.14501
22848
97.87 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: BABINET MODEL WITH MASK