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 conservative optimisationAfter full optimisation
R0.17800.17690.18130.1790
R-free0.22000.21970.21910.2168
σR-free 0.00390.00390.0039
Z(R-free) 1.563.153.00

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.182-0.188-0.168
2nd generation packing quality1-0.869-0.842-0.797
Ramachandran plot appearance1-0.264-0.424-0.286
Chi-1/Chi-2 rotamer normality1-0.907-0.853-0.268
Backbone conformation10.1210.1670.111
Bond length RMS Z-score20.3040.3310.326
Bond angle RMS Z-score20.5520.5760.568
Total number of bumps3433941
Unsatisfied H-bond donors/acceptors3403742
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 residues11
Significantly deteriorated residues8
Changes of all residuesPlot

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