Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.8 Å / Relative weight: 1
Reflection
Resolution: 2.1→44.04 Å / Num. obs: 31957 / % possible obs: 100 % / Redundancy: 19.4 % / CC1/2: 0.993 / Net I/σ(I): 8.12
Reflection shell
Resolution: 2.1→2.18 Å / Mean I/σ(I) obs: 0.91 / Num. unique obs: 3173 / CC1/2: 0.357
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0238
refinement
XDS
datareduction
XSCALE
datascaling
PHASER
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT Starting model: D_1292101550 Resolution: 2.1→44.04 Å / Cor.coef. Fo:Fc: 0.955 / Cor.coef. Fo:Fc free: 0.95 / SU B: 5.207 / SU ML: 0.126 / Cross valid method: FREE R-VALUE / ESU R: 0.168 / ESU R Free: 0.145 / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.21142
1599
5 %
RANDOM
Rwork
0.18785
-
-
-
obs
0.18904
31957
99.96 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å