linear primary-alkylsulfatase / linear primary-alkylsulfatase activity / dodecyl sulfate metabolic process / periplasmic space / protein dimerization activity / identical protein binding / metal ion binding Similarity search - Function
Resolution: 2.6→30 Å / Num. obs: 25870 / % possible obs: 100 % / Observed criterion σ(I): 3 / Redundancy: 12 % / Rmerge(I) obs: 0.11 / Net I/σ(I): 21.4
Reflection shell
Resolution: 2.6→2.7 Å / Redundancy: 12 % / Rmerge(I) obs: 0.52 / Mean I/σ(I) obs: 6 / % possible all: 100
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Processing
Software
Name
Version
Classification
REFMAC
5.2.0019
refinement
DENZO
datareduction
SCALEPACK
datascaling
SHELXD
phasing
Refinement
Method to determine structure: MAD / Resolution: 2.6→74.54 Å / Cor.coef. Fo:Fc: 0.939 / Cor.coef. Fo:Fc free: 0.898 / SU B: 8.922 / SU ML: 0.197 / Cross valid method: THROUGHOUT / ESU R: 0.699 / ESU R Free: 0.304 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. RESIDUES 206-208 ARE DISORDERED AND WERE MODELLED BY WATER. CHAIN B 1-4.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.24
1279
5.1 %
RANDOM
Rwork
0.173
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-
-
obs
0.177
23843
97.4 %
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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: BABINET MODEL WITH MASK