Optimised PDB entry 1apx



Warnings!

Structure
SpacegroupC 1 2 1
Cell dimensionsa: 132.400 Åb: 53.000 Åc: 170.600 Å
α: 90.00°β: 107.10°γ: 90.00°
Resolution2.20 Å

Experimental data
ReflectionsAll: 69289Test set: 0 (0.0%)
Resolution range17.44 Å1.99 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.19300.24700.17640.1757
R-freeNA0.24640.21380.2137
σR-free 0.00370.00410.0041
Z(R-free) 15.543.883.66

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.650-0.555-0.547
2nd generation packing quality1-1.113-0.911-0.808
Ramachandran plot appearance1-1.985-0.710-0.584
Chi-1/Chi-2 rotamer normality1-2.874-2.109-1.499
Backbone conformation1-1.112-1.004-0.954
Bond length RMS Z-score20.3520.5860.580
Bond angle RMS Z-score20.6250.7750.755
Total number of bumps3344043
Unsatisfied H-bond donors/acceptors3396148
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 residues0
Changes of all residuesPlot

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