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 conservative optimisationAfter full optimisation
R0.21400.20650.13310.1429
R-free0.23000.22500.16440.1761
σR-free 0.00510.00370.0040
Z(R-free) 11.254.764.82

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.107-0.132-0.142
2nd generation packing quality1-1.316-1.123-1.002
Ramachandran plot appearance1-0.4880.1040.163
Chi-1/Chi-2 rotamer normality1-0.219-0.0300.119
Backbone conformation10.0580.033-0.017
Bond length RMS Z-score20.2440.6250.636
Bond angle RMS Z-score20.5890.7780.760
Total number of bumps3243026
Unsatisfied H-bond donors/acceptors3162730
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 residues341
Significantly deteriorated residues0
Changes of all residuesPlot

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