Optimised PDB entry 2btp



Structure
SpacegroupP 1 21 1
Cell dimensionsa: 61.307 Åb: 85.964 Åc: 64.666 Å
α: 90.00°β: 112.67°γ: 90.00°
Resolution2.80 Å

Experimental data
ReflectionsAll: 14728Test set: 1121 (7.6%)
Resolution range34.88 Å2.80 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.20600.23270.23040.2354
R-free0.25900.28240.25620.2658
σR-free 0.00840.00770.0079
Z(R-free) -1.021.941.41

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.7030.8641.209
2nd generation packing quality10.5381.1891.534
Ramachandran plot appearance1-2.5550.6370.455
Chi-1/Chi-2 rotamer normality1-3.184-1.400-2.054
Backbone conformation1-1.046-0.824-0.801
Bond length RMS Z-score20.6540.3910.402
Bond angle RMS Z-score20.7160.5200.568
Total number of bumps333410
Unsatisfied H-bond donors/acceptors3141819
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 residues18
Significantly deteriorated residues5
Changes of all residuesPlot

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