#1: Journal: Acta Crystallogr.,Sect.F / Year: 2010 Title: Purification, Crystallization and Preliminary X-Ray Analysis of Human Gimap2 Authors: Schwefel, D. / Froehlich, C. / Daumke, O.
Type: MARRESEARCH / Detector: CCD / Date: May 2, 2008
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.9184 Å / Relative weight: 1
Reflection
Resolution: 2.8→50 Å / Num. obs: 12565 / % possible obs: 98.2 % / Observed criterion σ(I): 1 / Redundancy: 4.1 % / Biso Wilson estimate: 35 Å2 / Rmerge(I) obs: 0.22 / Net I/σ(I): 8.5
Reflection shell
Resolution: 2.8→2.97 Å / Redundancy: 3.3 % / Rmerge(I) obs: 0.6 / Mean I/σ(I) obs: 2.89 / % possible all: 97.6
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Processing
Software
Name
Version
Classification
REFMAC
5.5.0102
refinement
XDS
datareduction
XDS
datascaling
MOLREP
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT Starting model: NONE Resolution: 2.8→12 Å / Cor.coef. Fo:Fc: 0.895 / Cor.coef. Fo:Fc free: 0.861 / SU B: 40.192 / SU ML: 0.359 / Cross valid method: THROUGHOUT / ESU R Free: 0.44 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. ATOM RECORD CONTAINS SUM OF TLS AND RESIDUAL B FACTORS. ANISOU RECORD CONTAINS SUM OF TLS AND RESIDUAL U FACTORS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.27565
591
4.9 %
RANDOM
Rwork
0.22941
-
-
-
obs
0.23176
11467
97.49 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK