Optimised PDB entry 1f2f



Structure
SpacegroupC 1 2 1
Cell dimensionsa: 74.460 Åb: 27.220 Åc: 55.250 Å
α: 90.00°β: 106.68°γ: 90.00°
Resolution1.70 Å

Experimental data
ReflectionsAll: 11663Test set: 1208 (10.4%)
Resolution range14.85 Å1.70 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.20800.20200.15980.1578
R-free0.24000.22830.19280.1943
σR-free 0.00660.00550.0056
Z(R-free) 1.94-0.38-1.07

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.645-0.480-0.480
2nd generation packing quality1-0.269-0.286-0.281
Ramachandran plot appearance1-0.1910.3330.342
Chi-1/Chi-2 rotamer normality1-1.530-1.125-0.516
Backbone conformation10.3000.2990.308
Bond length RMS Z-score20.5250.8710.817
Bond angle RMS Z-score20.7550.9760.952
Total number of bumps3020
Unsatisfied H-bond donors/acceptors39108
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 residues46
Significantly deteriorated residues0
Changes of all residuesPlot

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