Optimised PDB entry 1a02



Structure
SpacegroupP 1 21 1
Cell dimensionsa: 64.660 Åb: 85.460 Åc: 83.370 Å
α: 90.00°β: 112.03°γ: 90.00°
Resolution2.70 Å

Experimental data
ReflectionsAll: 22079Test set: 1671 (7.6%)
Resolution range19.49 Å2.69 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.24600.25190.22610.2230
R-free0.30300.30410.27890.2812
σR-free 0.00740.00680.0069
Z(R-free) -0.24-1.12-1.97

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.832-0.646-0.621
2nd generation packing quality1-1.714-1.279-0.849
Ramachandran plot appearance1-3.654-2.206-2.074
Chi-1/Chi-2 rotamer normality1-7.675-6.343-5.197
Backbone conformation1-0.435-0.521-0.625
Bond length RMS Z-score20.5770.4800.506
Bond angle RMS Z-score20.8770.7960.811
Total number of bumps31024854
Unsatisfied H-bond donors/acceptors3303328
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 residues97
Significantly deteriorated residues0
Changes of all residuesPlot

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