Optimised 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 re-refinementAfter re-refinement and rebuilding
R0.21300.21150.21150.2473
R-free0.26400.26070.26070.2914
σR-free 0.0077NA0.0086
Z(R-free) -0.23NA1.31

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.560-0.562-0.476
2nd generation packing quality11.5731.5401.787
Ramachandran plot appearance1-0.029-0.0330.212
Chi-1/Chi-2 rotamer normality1-2.932-2.934-1.167
Backbone conformation12.4752.4752.591
Bond length RMS Z-score20.6720.6730.536
Bond angle RMS Z-score20.7420.7420.774
Total number of bumps319196
Unsatisfied H-bond donors/acceptors39910
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 residues40
Changes of all residuesPlot

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