PDB entry 3qxa



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 65.296 Åb: 95.887 Åc: 151.573 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.71 Å

Experimental data
ReflectionsAll: 26213Test set: 1246 (4.8%)
Resolution range37.45 Å2.71 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.19300.20150.18950.1845
R-free0.23500.23840.23360.2333
σR-free 0.00680.00660.0066
Z(R-free) 0.50-0.94-1.80

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.169-0.2500.332
2nd generation packing quality1-0.812-1.073-0.547
Ramachandran plot appearance1-1.0950.0600.229
Chi-1/Chi-2 rotamer normality1-0.914-0.934-0.443
Backbone conformation11.0280.7160.997
Bond length RMS Z-score20.1610.4690.471
Bond angle RMS Z-score20.4230.6850.686
Total number of bumps3965552
Unsatisfied H-bond donors/acceptors3493334
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 residues37
Significantly deteriorated residues0
Changes of all residuesPlot

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