Optimised PDB entry 4rbo



Warnings!

Structure
SpacegroupP 65 2 2
Cell dimensionsa: 215.603 Åb: 215.603 Åc: 42.269 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution3.30 Å

Experimental data
ReflectionsAll: 8827Test set: 0 (0.0%)
Resolution range29.90 Å3.30 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.23500.24950.22320.2188
R-free0.26800.24720.23770.2349
σR-free 0.00830.00800.0079
Z(R-free) 6.293.763.51

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.1180.0250.052
2nd generation packing quality1-0.833-0.452-0.463
Ramachandran plot appearance1-2.095-2.737-2.752
Chi-1/Chi-2 rotamer normality1-3.114-4.077-4.476
Backbone conformation1-0.6770.5930.588
Bond length RMS Z-score20.4520.3310.330
Bond angle RMS Z-score20.7660.6170.607
Total number of bumps3433228
Unsatisfied H-bond donors/acceptors3121110
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 residues42
Significantly deteriorated residues3
Changes of all residuesPlot

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