Optimised PDB entry 1jws



Structure
SpacegroupH 3
Cell dimensionsa: 170.395 Åb: 170.395 Åc: 120.812 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.60 Å

Experimental data
ReflectionsAll: 37709Test set: 1896 (5.0%)
Resolution range19.92 Å2.60 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.19500.21760.18000.1772
R-free0.23200.24370.21160.2086
σR-free 0.00560.00490.0048
Z(R-free) 6.043.673.62

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.389-0.237-0.197
2nd generation packing quality1-1.757-1.406-1.274
Ramachandran plot appearance1-2.881-0.943-0.778
Chi-1/Chi-2 rotamer normality1-4.219-3.045-2.425
Backbone conformation1-0.215-0.177-0.107
Bond length RMS Z-score20.3440.4990.488
Bond angle RMS Z-score20.6610.7640.747
Total number of bumps31083435
Unsatisfied H-bond donors/acceptors3423837
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 residues199
Significantly deteriorated residues0
Changes of all residuesPlot

Download

Links