Optimised PDB entry 4m75



Structure
SpacegroupP 1
Cell dimensionsa: 66.672 Åb: 67.835 Åc: 98.235 Å
α: 93.14°β: 108.21°γ: 116.30°
Resolution2.95 Å

Experimental data
ReflectionsAll: 29575Test set: 1504 (5.1%)
Resolution range38.66 Å2.95 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.26600.26840.25810.2476
R-free0.29100.29020.28550.2827
σR-free 0.00750.00740.0073
Z(R-free) 4.253.271.97

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.8520.0950.221
2nd generation packing quality1-1.880-0.569-0.091
Ramachandran plot appearance1-2.936-1.978-2.168
Chi-1/Chi-2 rotamer normality1-9.116-5.052-5.066
Backbone conformation1-0.0840.5620.426
Bond length RMS Z-score20.5330.4290.451
Bond angle RMS Z-score20.6270.6500.710
Total number of bumps36906975
Unsatisfied H-bond donors/acceptors314210497
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 residues178
Significantly deteriorated residues20
Changes of all residuesPlot

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