Optimised PDB entry 1szd



Structure
SpacegroupP 32 2 1
Cell dimensionsa: 105.383 Åb: 105.383 Åc: 66.150 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution1.50 Å

Experimental data
ReflectionsAll: 63844Test set: 1977 (3.1%)
Resolution range41.21 Å1.50 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.21400.20660.13270.1382
R-free0.23000.22510.16370.1735
σR-free 0.00510.00370.0039
Z(R-free) 11.254.813.97

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.107-0.183-0.207
2nd generation packing quality1-1.770-1.812-1.610
Ramachandran plot appearance1-0.801-0.118-0.039
Chi-1/Chi-2 rotamer normality1-0.655-0.675-0.451
Backbone conformation1-0.475-0.505-0.496
Bond length RMS Z-score20.2440.7600.746
Bond angle RMS Z-score20.5890.8700.842
Total number of bumps3161112
Unsatisfied H-bond donors/acceptors3192018
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 residues374
Significantly deteriorated residues1
Changes of all residuesPlot

Download

Links