ACYL-COA-BINDINGPROTEIN / ACYL-COENZYME A BINDING PROTEIN / ACBP / DIAZEPAM-BINDING INHIBITOR / DBI / ENDOZEPINE / EP
Mass: 10061.438 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) HOMO SAPIENS (human) / Production host: ESCHERICHIA COLI (E. coli) / References: UniProt: P07108
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.7453 Å / Relative weight: 1
Reflection
Resolution: 1.35→19 Å / Num. obs: 54202 / % possible obs: 99.8 % / Observed criterion σ(I): 2 / Redundancy: 5.44 % / Rmerge(I) obs: 0.06 / Net I/σ(I): 13.9
Reflection shell
Resolution: 1.35→1.45 Å
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Processing
Software
Name
Version
Classification
REFMAC
5.1.24
refinement
XDS
datareduction
XDS
datascaling
CNS
phasing
Refinement
Method to determine structure: SAD / Resolution: 1.4→18.29 Å / Cor.coef. Fo:Fc: 0.972 / Cor.coef. Fo:Fc free: 0.964 / SU B: 1.048 / SU ML: 0.04 / Cross valid method: THROUGHOUT / ESU R: 0.055 / ESU R Free: 0.052 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.194
1091
2 %
RANDOM
Rwork
0.171
-
-
-
obs
0.172
53111
100 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK