Resolution: 1.85→46.27 Å / Num. obs: 35097 / % possible obs: 99.2 % / Observed criterion σ(I): 2 / Redundancy: 3.5 % / Rmerge(I) obs: 0.08 / Net I/σ(I): 12.3
Reflection shell
Resolution: 1.85→1.95 Å / Redundancy: 3.2 % / Rmerge(I) obs: 0.39 / Mean I/σ(I) obs: 2.9 / % possible all: 96.3
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Processing
Software
Name
Version
Classification
REFMAC
5.4.0077
refinement
XDS
datareduction
SCALA
datascaling
AMoRE
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT Starting model: FIRST MODEL FROM SELENOMET DATA Resolution: 1.85→46.27 Å / Cor.coef. Fo:Fc: 0.944 / Cor.coef. Fo:Fc free: 0.908 / SU B: 2.584 / SU ML: 0.079 / Cross valid method: THROUGHOUT / ESU R: 0.13 / ESU R Free: 0.127 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. DISORDERED REGIONS WERE MODELED STEREOCHEMICALLY
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.212
1756
5 %
RANDOM
Rwork
0.168
-
-
-
obs
0.17
33286
99 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK