Optimised PDB entry 3zlw



Structure
SpacegroupP 61 2 2
Cell dimensionsa: 77.059 Åb: 77.059 Åc: 221.800 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.12 Å

Experimental data
ReflectionsAll: 23011Test set: 1183 (5.1%)
Resolution range23.12 Å2.12 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.19560.20480.20070.1984
R-free0.24810.25150.25030.2523
σR-free 0.00730.00730.0073
Z(R-free) 0.29-0.25-0.92

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.275-0.132-0.160
2nd generation packing quality1-0.199-0.179-0.223
Ramachandran plot appearance1-0.3480.226-0.041
Chi-1/Chi-2 rotamer normality1-1.267-0.279-0.170
Backbone conformation1-0.400-0.592-0.609
Bond length RMS Z-score20.6760.4310.429
Bond angle RMS Z-score20.9130.6510.650
Total number of bumps3111110
Unsatisfied H-bond donors/acceptors391117
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 residues14
Significantly deteriorated residues1
Changes of all residuesPlot

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