Optimised PDB entry 3qxd



Warnings!

Structure
SpacegroupP 21 21 21
Cell dimensionsa: 65.001 Åb: 94.870 Åc: 154.090 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.30 Å

Experimental data
ReflectionsAll: 42853Test set: 2165 (5.1%)
Resolution range44.01 Å2.30 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.18900.19580.18180.1814
R-free0.22100.20540.22410.2232
σR-free 0.00440.00480.0048
Z(R-free) 11.683.003.06

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.4510.4720.539
2nd generation packing quality1-0.787-0.770-0.580
Ramachandran plot appearance10.0121.2971.336
Chi-1/Chi-2 rotamer normality1-0.692-1.225-1.099
Backbone conformation11.0971.0451.138
Bond length RMS Z-score20.2180.6010.606
Bond angle RMS Z-score20.4820.8090.804
Total number of bumps3604036
Unsatisfied H-bond donors/acceptors3282527
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 residues46
Significantly deteriorated residues1
Changes of all residuesPlot

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