PDB entry 4m75



Structure
SpacegroupP 1
Cell dimensionsa: 66.672 Åb: 67.835 Åc: 98.235 Å
α: 93.14°β: 108.21°γ: 116.30°
Resolution2.95 Å

Experimental data
ReflectionsAll: 29575Test set: 1504 (5.1%)
Resolution range38.66 Å2.95 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.26600.26990.25600.2483
R-free0.29100.29370.28940.2891
σR-free 0.00760.00750.0075
Z(R-free) 3.972.371.19

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.852-0.0100.001
2nd generation packing quality1-1.423-0.557-0.191
Ramachandran plot appearance1-2.547-2.403-2.467
Chi-1/Chi-2 rotamer normality1-6.347-3.384-3.440
Backbone conformation1-0.2290.2130.153
Bond length RMS Z-score20.5330.3330.348
Bond angle RMS Z-score20.6270.5550.616
Total number of bumps3690131147
Unsatisfied H-bond donors/acceptors3142105110
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 residues246
Significantly deteriorated residues18
Changes of all residuesPlot

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