Optimised PDB entry 1sjh



Structure
SpacegroupH 3
Cell dimensionsa: 172.464 Åb: 172.464 Åc: 121.461 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.25 Å

Experimental data
ReflectionsAll: 64060Test set: 4530 (7.1%)
Resolution range49.79 Å2.25 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.22000.21790.19050.1887
R-free0.24500.23830.21650.2142
σR-free 0.00350.00320.0032
Z(R-free) 6.033.223.25

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.154-0.208-0.186
2nd generation packing quality1-1.284-1.215-1.125
Ramachandran plot appearance1-1.759-0.003-0.042
Chi-1/Chi-2 rotamer normality1-2.464-2.109-1.592
Backbone conformation1-0.068-0.116-0.011
Bond length RMS Z-score20.2980.5010.489
Bond angle RMS Z-score20.6200.7300.713
Total number of bumps3772219
Unsatisfied H-bond donors/acceptors3242226
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 residues181
Significantly deteriorated residues2
Changes of all residuesPlot

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