Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Jan 30, 2008
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.934 Å / Relative weight: 1
Reflection
Resolution: 1.7→51.1 Å / Num. obs: 30345 / % possible obs: 100 % / Observed criterion σ(I): 2 / Redundancy: 10.7 % / Rmerge(I) obs: 0.09 / Net I/σ(I): 19.8
Reflection shell
Resolution: 1.7→1.79 Å / Redundancy: 10.8 % / Rmerge(I) obs: 0.46 / Mean I/σ(I) obs: 5.3 / % possible all: 100
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Processing
Software
Name
Version
Classification
REFMAC
5.5.0109
refinement
MOSFLM
datareduction
SCALA
datascaling
autoSHARP
phasing
Refinement
Method to determine structure: SIRAS Starting model: NONE Resolution: 1.7→38.21 Å / Cor.coef. Fo:Fc: 0.96 / Cor.coef. Fo:Fc free: 0.935 / SU B: 1.686 / SU ML: 0.056 / Cross valid method: THROUGHOUT / ESU R: 0.083 / ESU R Free: 0.089 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. RESIDUES FROM 1-32, 94-114 AND 251-252 ARE DISORDERED.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.2037
1535
5.1 %
RANDOM
Rwork
0.16265
-
-
-
obs
0.1647
28775
99.96 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK