PDB entry 3zhv



Warnings!

Structure
SpacegroupP 1
Cell dimensionsa: 80.464 Åb: 83.702 Åc: 160.333 Å
α: 99.68°β: 98.87°γ: 100.63°
Resolution2.30 Å

Experimental data
ReflectionsAll: 172548Test set: 8626 (5.0%)
Resolution range41.06 Å2.30 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.20340.21400.21290.2164
R-free0.23540.24450.24100.2469
σR-free 0.00260.00260.0027
Z(R-free) 13.1513.9612.93

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.405-0.418-0.261
2nd generation packing quality1-1.401-1.551-1.126
Ramachandran plot appearance1-0.596-0.570-0.716
Chi-1/Chi-2 rotamer normality1-1.930-1.083-1.320
Backbone conformation1-0.341-0.393-0.412
Bond length RMS Z-score20.6250.4610.490
Bond angle RMS Z-score20.8820.6620.709
Total number of bumps3181228284
Unsatisfied H-bond donors/acceptors3160141176
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 residues48
Significantly deteriorated residues26
Changes of all residuesPlot

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