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
R0.22000.21770.18700.1854
R-free0.24500.23850.21620.2140
σR-free 0.00350.00320.0032
Z(R-free) 5.892.002.09

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.074-0.136-0.101
2nd generation packing quality1-1.283-1.226-1.066
Ramachandran plot appearance1-1.847-0.377-0.339
Chi-1/Chi-2 rotamer normality1-2.556-2.770-2.463
Backbone conformation10.3030.2450.295
Bond length RMS Z-score20.2980.7060.693
Bond angle RMS Z-score20.6200.8650.836
Total number of bumps3773629
Unsatisfied H-bond donors/acceptors3282326
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 residues252
Significantly deteriorated residues1
Changes of all residuesPlot

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