Optimised PDB entry 4s0h



Structure
SpacegroupP 1 21 1
Cell dimensionsa: 70.217 Åb: 78.459 Åc: 78.695 Å
α: 90.00°β: 108.83°γ: 90.00°
Resolution2.82 Å

Experimental data
ReflectionsAll: 18168Test set: 1817 (10.0%)
Resolution range39.23 Å2.82 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.18900.21510.19610.1924
R-free0.24700.25460.23260.2360
σR-free 0.00600.00550.0055
Z(R-free) 0.580.49-0.93

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-1.083-0.438-0.455
2nd generation packing quality1-2.083-1.215-1.230
Ramachandran plot appearance1-3.011-0.264-0.266
Chi-1/Chi-2 rotamer normality1-4.522-4.046-3.475
Backbone conformation1-0.580-0.411-0.607
Bond length RMS Z-score20.7500.5650.569
Bond angle RMS Z-score20.8770.9220.916
Total number of bumps31426564
Unsatisfied H-bond donors/acceptors3523542
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 residues63
Significantly deteriorated residues0
Changes of all residuesPlot

Download

Links