PDB entry 4ah2



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 57.644 Åb: 65.616 Åc: 131.331 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.36 Å

Experimental data
ReflectionsAll: 21133Test set: 1057 (5.0%)
Resolution range32.83 Å2.36 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.19140.19540.18500.1866
R-free0.24020.23790.23250.2333
σR-free 0.00520.00510.0051
R-free Z-score 3.521.982.24

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.3290.2420.130
2nd generation packing quality1-0.786-0.879-0.695
Ramachandran plot appearance1-0.101-0.198-0.148
Chi-1/Chi-2 rotamer normality1-1.958-1.430-1.217
Backbone conformation10.1690.2040.294
Bond length RMS Z-score20.3790.3530.356
Bond angle RMS Z-score20.5580.6000.611
Total number of bumps3472220
Unsatisfied H-bond donors/acceptors31279
Full WHAT_CHECK reportsLink LinkLink

1 Higher is better
2 Should be lower than 1.000
3 Fewer is better

Electron density map validation
Real-space correlation coefficientReal-space R-factor
Significantly improved residues35
Significantly deteriorated residues04
Changes of all residuesPlot Plot

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