Optimised PDB entry 4mjq



Structure
SpacegroupP 1
Cell dimensionsa: 40.993 Åb: 65.512 Åc: 73.438 Å
α: 73.03°β: 85.29°γ: 85.65°
Resolution1.73 Å

Experimental data
ReflectionsAll: 71160Test set: 3552 (5.0%)
Resolution range27.98 Å1.73 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.18500.18480.17660.1774
R-free0.21800.21780.20960.2111
σR-free 0.00370.00350.0035
Z(R-free) 1.110.710.54

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality11.0521.1051.024
2nd generation packing quality1-1.059-0.926-0.775
Ramachandran plot appearance10.5370.6970.693
Chi-1/Chi-2 rotamer normality1-2.075-2.001-1.895
Backbone conformation10.7660.7470.731
Bond length RMS Z-score20.4000.5810.600
Bond angle RMS Z-score20.6500.7970.801
Total number of bumps3221415
Unsatisfied H-bond donors/acceptors3211818
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 residues42
Significantly deteriorated residues2
Changes of all residuesPlot

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