Optimised PDB entry 4g0w



Structure
SpacegroupP 1 21 1
Cell dimensionsa: 80.662 Åb: 176.424 Åc: 93.635 Å
α: 90.00°β: 112.04°γ: 90.00°
Resolution2.70 Å

Experimental data
ReflectionsAll: 65912Test set: 3341 (5.1%)
Resolution range29.42 Å2.70 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.16500.17150.17710.1763
R-free0.21500.21530.20340.2034
σR-free 0.00370.00350.0035
Z(R-free) -2.572.602.34

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.148-0.036-0.010
2nd generation packing quality1-0.2610.0590.073
Ramachandran plot appearance1-2.332-0.568-0.607
Chi-1/Chi-2 rotamer normality1-3.705-1.491-1.194
Backbone conformation1-0.753-0.782-0.754
Bond length RMS Z-score20.4240.3820.381
Bond angle RMS Z-score20.7250.6470.641
Total number of bumps31318081
Unsatisfied H-bond donors/acceptors3816961
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 residues12
Significantly deteriorated residues18
Changes of all residuesPlot

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