Type: MAR scanner 345 mm plate / Detector: IMAGE PLATE / Date: Feb 15, 1996
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.89 Å / Relative weight: 1
Reflection
Resolution: 2.05→20 Å / Num. all: 99695 / Num. obs: 36134 / % possible obs: 97.4 % / Redundancy: 2.8 % / Net I/σ(I): 10.5
Reflection shell
Resolution: 2.05→2.09 Å / Redundancy: 1.9 % / Rmerge(I) obs: 0.115 / Mean I/σ(I) obs: 2.6 / % possible all: 89.3
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Processing
Software
Name
Version
Classification
DENZO
datareduction
SCALEPACK
datascaling
AMoRE
phasing
REFMAC
5.8.0049
refinement
Refinement
Resolution: 2.05→19.88 Å / Cor.coef. Fo:Fc: 0.967 / Cor.coef. Fo:Fc free: 0.946 / SU B: 3.688 / SU ML: 0.097 / Cross valid method: THROUGHOUT / ESU R: 0.16 / ESU R Free: 0.14 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.18355
1801
5 %
RANDOM
Rwork
0.14349
-
-
-
obs
0.1455
34332
97.3 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK