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 conservative optimisationAfter full optimisation
R0.21000.20700.17380.1704
R-free0.25100.24260.20780.2003
σR-free 0.00250.00210.0020
R-free Z-score 11.569.6211.60

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.405-0.313-0.274
2nd generation packing quality1-1.364-1.235-1.044
Ramachandran plot appearance1-1.3040.0650.358
Chi-1/Chi-2 rotamer normality1-2.167-1.969-1.125
Backbone conformation10.2890.4490.487
Bond length RMS Z-score20.3750.4880.471
Bond angle RMS Z-score20.7580.7550.731
Total number of bumps31206662
Unsatisfied H-bond donors/acceptors3707470
Full WHAT_CHECK reportsLink LinkLink

1 Higher is better
2 Should be lower than 1.000
3 Fewer is better

Electron density map validation
Real-space correlation coefficientReal-space R-factor
Significantly improved residues9961
Significantly deteriorated residues16
Changes of all residuesPlot Plot

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