Monochromator: DOUBLE CRYSTAL / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.98 Å / Relative weight: 1
Reflection
Resolution: 1.6→29.7 Å / Num. obs: 76663 / % possible obs: 99.7 %
Reflection shell
Resolution: 1.6→1.67 Å / % possible all: 100
-
Processing
Software
Name
Version
Classification
GDA
datacollection
PHASER
phasing
REFMAC
5
refinement
xia2
datareduction
xia2
datascaling
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.61→29.7 Å / Cor.coef. Fo:Fc: 0.958 / Cor.coef. Fo:Fc free: 0.951 / SU B: 3.349 / SU ML: 0.057 / Cross valid method: THROUGHOUT / ESU R: 0.087 / ESU R Free: 0.085 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.212
4045
5 %
RANDOM
Rwork
0.189
-
-
-
obs
0.19
76663
99.7 %
-
all
-
81041
-
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK