- PDB-4xo6: Crystal structure of human 3-alpha hydroxysteroid dehydrogenase t... -
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Basic information
Entry
Database: PDB / ID: 4xo6
Title
Crystal structure of human 3-alpha hydroxysteroid dehydrogenase type 3 in complex with NADP+, 5alpha-androstan-3,17-dione and (3beta, 5alpha)-3-hydroxyandrostan-17-one
Monochromator: DIAMOND (111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.97931 Å / Relative weight: 1
Reflection
Resolution: 1.2→17.64 Å / Num. obs: 212070 / % possible obs: 99.4 % / Observed criterion σ(I): 2 / Redundancy: 3.6 % / Net I/σ(I): 9.8
Reflection shell
Resolution: 1.2→1.26 Å / Redundancy: 3.4 % / Rmerge(I) obs: 0.334 / Mean I/σ(I) obs: 3.3 / % possible all: 98.1
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Processing
Software
Name
Version
Classification
MOSFLM
datareduction
SCALA
datascaling
PHASES
phasing
REFMAC
5.6.0117
refinement
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.2→17.64 Å / Cor.coef. Fo:Fc: 0.973 / Cor.coef. Fo:Fc free: 0.965 / SU B: 0.519 / SU ML: 0.024 / Cross valid method: THROUGHOUT / σ(F): 2 / ESU R: 0.036 / ESU R Free: 0.038 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.174
10646
5 %
RANDOM
Rwork
0.154
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obs
0.155
201387
99.4 %
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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