Optimised PDB entry 3g6h



Structure
SpacegroupP 1
Cell dimensionsa: 41.938 Åb: 63.344 Åc: 74.179 Å
α: 100.99°β: 89.39°γ: 90.20°
Resolution2.35 Å

Experimental data
ReflectionsAll: 28182Test set: 1435 (5.1%)
Resolution range34.74 Å2.35 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.22500.22880.20310.1995
R-free0.28300.28600.23800.2361
σR-free 0.00750.00630.0062
Z(R-free) 1.844.464.08

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-1.794-1.422-1.493
2nd generation packing quality1-1.024-0.560-0.572
Ramachandran plot appearance1-1.887-0.747-0.691
Chi-1/Chi-2 rotamer normality1-2.855-1.898-1.826
Backbone conformation1-0.123-0.171-0.211
Bond length RMS Z-score20.6080.6930.703
Bond angle RMS Z-score20.7160.8680.852
Total number of bumps3635949
Unsatisfied H-bond donors/acceptors3343025
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 residues123
Significantly deteriorated residues3
Changes of all residuesPlot

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