PDB entry 2qa4



Warnings!

Structure
SpacegroupC 2 2 21
Cell dimensionsa: 214.490 Åb: 302.432 Åc: 578.056 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution3.00 Å

Experimental data
ReflectionsAll: 357596Test set: 18014 (5.0%)
Resolution range49.83 Å3.01 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.24100.25960.24650.2459
R-free0.28800.25870.27500.2806
σR-free 0.00190.00200.0021
Z(R-free) 27.7910.406.90

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-3.011-2.852-3.066
2nd generation packing quality1-3.897-3.660-4.027
Ramachandran plot appearance1-4.681-3.241-3.403
Chi-1/Chi-2 rotamer normality1-3.490-2.375-3.400
Backbone conformation1-0.380-0.235-0.342
Bond length RMS Z-score20.5420.2410.250
Bond angle RMS Z-score20.7430.5930.602
Total number of bumps3481917571893
Unsatisfied H-bond donors/acceptors3751665667
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 residues508
Significantly deteriorated residues53
Changes of all residuesPlot

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