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
R0.22300.23030.20250.2013
R-free0.28600.22550.24100.2420
σR-free 0.00460.00490.0049
Z(R-free) 16.705.064.53

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.285-0.112-0.082
2nd generation packing quality1-1.027-0.917-0.680
Ramachandran plot appearance1-2.743-1.572-1.531
Chi-1/Chi-2 rotamer normality1-2.051-1.741-1.250
Backbone conformation1-0.913-0.915-0.965
Bond length RMS Z-score20.2460.5960.594
Bond angle RMS Z-score20.7550.7960.776
Total number of bumps3168135120
Unsatisfied H-bond donors/acceptors3624745
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 residues159
Significantly deteriorated residues0
Changes of all residuesPlot

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