Optimised PDB entry 4m3w



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 78.518 Åb: 118.774 Åc: 129.773 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.10 Å

Experimental data
ReflectionsAll: 61737Test set: 3156 (5.1%)
Resolution range46.10 Å2.10 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.17800.17730.17860.1767
R-free0.22000.22010.21900.2183
σR-free 0.00390.00390.0039
Z(R-free) 1.592.311.85

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.223-0.260-0.247
2nd generation packing quality1-0.869-0.861-0.766
Ramachandran plot appearance1-0.280-0.556-0.394
Chi-1/Chi-2 rotamer normality1-0.892-1.030-0.438
Backbone conformation10.020-0.033-0.009
Bond length RMS Z-score20.3040.5180.506
Bond angle RMS Z-score20.5520.7250.711
Total number of bumps3433535
Unsatisfied H-bond donors/acceptors3403442
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 residues10
Significantly deteriorated residues8
Changes of all residuesPlot

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