PDB entry 2oaw



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 49.470 Åb: 57.550 Åc: 101.390 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution1.90 Å

Experimental data
ReflectionsAll: 22910Test set: 1146 (5.0%)
Resolution range20.03 Å1.90 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.21300.21180.21180.2407
R-free0.26400.26080.26080.2872
σR-free 0.0077NA0.0085
Z(R-free) -0.19NA0.87

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.560-0.562-0.497
2nd generation packing quality10.1140.1140.292
Ramachandran plot appearance1-0.093-0.0980.145
Chi-1/Chi-2 rotamer normality1-1.380-1.3800.054
Backbone conformation12.0042.0042.231
Bond length RMS Z-score20.6720.6730.606
Bond angle RMS Z-score20.7420.7420.777
Total number of bumps3282821
Unsatisfied H-bond donors/acceptors3779
LinkLinkLink

1 Higher is better, 2 Should be lower than 1.000, 3 Fewer is better


Density map fit (real-space correlation coefficient)
Significantly improved residues0
Significantly deteriorated residues15
Changes of all residuesPlot

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