Optimised PDB entry 1c9u



Warnings!

Structure
SpacegroupC 2 2 21
Cell dimensionsa: 60.590 Åb: 158.720 Åc: 221.390 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.20 Å

Experimental data
ReflectionsAll: 48621Test set: 0 (0.0%)
Resolution range39.85 Å2.13 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.22300.22980.20260.2009
R-free0.28600.23350.24870.2451
σR-free 0.00470.00500.0050
Z(R-free) 14.513.463.72

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.285-0.154-0.121
2nd generation packing quality1-1.252-1.036-1.004
Ramachandran plot appearance1-3.012-1.735-1.522
Chi-1/Chi-2 rotamer normality1-3.173-2.756-2.198
Backbone conformation1-1.009-0.746-0.774
Bond length RMS Z-score20.2460.4850.479
Bond angle RMS Z-score20.7550.7210.704
Total number of bumps31266963
Unsatisfied H-bond donors/acceptors3765958
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 residues136
Significantly deteriorated residues1
Changes of all residuesPlot

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