Optimised PDB entry 1mb9



Warnings!

Structure
SpacegroupP 1 21 1
Cell dimensionsa: 61.252 Åb: 97.571 Åc: 81.313 Å
α: 90.00°β: 90.69°γ: 90.00°
Resolution2.11 Å

Experimental data
ReflectionsAll: 53106Test set: 4774 (9.0%)
Resolution range29.22 Å2.11 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.21000.20670.17200.1676
R-free0.25100.24320.20840.2006
σR-free 0.00350.00300.0029
Z(R-free) 7.975.736.62

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.415-0.345-0.281
2nd generation packing quality1-1.729-1.495-1.407
Ramachandran plot appearance1-1.726-0.180-0.107
Chi-1/Chi-2 rotamer normality1-3.249-2.970-2.181
Backbone conformation1-0.622-0.443-0.430
Bond length RMS Z-score20.3750.5890.570
Bond angle RMS Z-score20.7580.8320.803
Total number of bumps31033835
Unsatisfied H-bond donors/acceptors3655355
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 residues99
Significantly deteriorated residues0
Changes of all residuesPlot

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