Type: MAR scanner 300 mm plate / Detector: IMAGE PLATE / Date: Jul 28, 2012
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.1 Å / Relative weight: 1
Reflection
Resolution: 1.1→137 Å / Num. all: 108807 / Num. obs: 103356 / % possible obs: 94.7 %
Reflection shell
Resolution: 1.1→1.14 Å / % possible all: 94
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Processing
Software
Name
Version
Classification
HKL-3000
datacollection
PHASER
phasing
REFMAC
5.6.0117
refinement
HKL-3000
datareduction
HKL-3000
datascaling
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.2→137 Å / Cor.coef. Fo:Fc: 0.969 / Cor.coef. Fo:Fc free: 0.958 / SU B: 0.673 / SU ML: 0.031 / Cross valid method: THROUGHOUT / ESU R: 0.043 / ESU R Free: 0.044 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.20212
4185
5 %
RANDOM
Rwork
0.18235
-
-
-
obs
0.18335
79630
94.01 %
-
all
-
108807
-
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: BABINET MODEL WITH MASK