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
R0.18900.19570.17860.1789
R-free0.22100.20570.22390.2243
σR-free 0.00440.00480.0048
Z(R-free) 11.592.172.17

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.3510.4290.498
2nd generation packing quality1-0.810-0.716-0.599
Ramachandran plot appearance1-0.1251.1371.154
Chi-1/Chi-2 rotamer normality1-0.742-1.388-1.163
Backbone conformation10.7620.7330.801
Bond length RMS Z-score20.2180.5870.590
Bond angle RMS Z-score20.4820.8050.799
Total number of bumps3603534
Unsatisfied H-bond donors/acceptors3252224
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 residues54
Significantly deteriorated residues0
Changes of all residuesPlot

Download

Links