Mass: 10869.072 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) synthetic construct (others) / Production host: Escherichia coli (E. coli)
Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: May 12, 2017
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.00003 Å / Relative weight: 1
Reflection
Resolution: 1.34→43 Å / Num. obs: 19644 / % possible obs: 99.3 % / Redundancy: 6.3 % / CC1/2: 0.999 / Rmerge(I) obs: 0.042 / Net I/σ(I): 12.91
Reflection shell
Resolution: 1.34→1.42 Å / Rmerge(I) obs: 0.761 / Mean I/σ(I) obs: 1.4 / CC1/2: 0.749 / % possible all: 98.6
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0158
refinement
XDS
datareduction
XSCALE
datascaling
MOLREP
phasing
Refinement
Resolution: 1.34→43 Å / Cor.coef. Fo:Fc: 0.981 / Cor.coef. Fo:Fc free: 0.979 / SU B: 2.619 / SU ML: 0.044 / Cross valid method: THROUGHOUT / ESU R: 0.051 / ESU R Free: 0.052 / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.17113
983
5 %
RANDOM
Rwork
0.12639
-
-
-
obs
0.12867
18661
99.51 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å