Resolution: 2.8→3 Å / Redundancy: 4.8 % / Rmerge(I) obs: 0.904 / Mean I/σ(I) obs: 1.6 / Rsym value: 0.93 / % possible all: 94
-
Processing
Software
Name
Version
Classification
EDNA
datacollection
SHARP
phasing
REFMAC
5.6.0117
refinement
XDS
datareduction
XDS
datascaling
Refinement
Method to determine structure: MAD / Resolution: 2.8→107.49 Å / Cor.coef. Fo:Fc: 0.892 / Cor.coef. Fo:Fc free: 0.907 / SU B: 44.165 / SU ML: 0.371 / Cross valid method: THROUGHOUT / ESU R: 0.667 / ESU R Free: 0.371 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.30508
3253
5.1 %
RANDOM
Rwork
0.28535
-
-
-
obs
0.28638
60999
99.83 %
-
all
-
67200
-
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK