Optimised PDB entry 4m9n



Structure
SpacegroupP 1 21 1
Cell dimensionsa: 54.523 Åb: 79.215 Åc: 54.685 Å
α: 90.00°β: 106.24°γ: 90.00°
Resolution2.27 Å

Experimental data
ReflectionsAll: 19941Test set: 1987 (10.0%)
Resolution range13.92 Å2.28 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.19200.20560.19750.1956
R-free0.22700.24060.22570.2336
σR-free 0.00540.00510.0052
Z(R-free) 6.437.595.44

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.123-0.186-0.129
2nd generation packing quality1-0.764-0.6940.147
Ramachandran plot appearance1-0.2420.1110.016
Chi-1/Chi-2 rotamer normality1-0.0460.052-0.369
Backbone conformation1-0.489-0.550-0.605
Bond length RMS Z-score20.3130.3620.362
Bond angle RMS Z-score20.5600.6320.645
Total number of bumps3341818
Unsatisfied H-bond donors/acceptors3766
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 residues3
Significantly deteriorated residues3
Changes of all residuesPlot

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