PDB entry 4h3x



Structure
SpacegroupP 1 21 1
Cell dimensionsa: 40.110 Åb: 97.940 Åc: 46.080 Å
α: 90.00°β: 111.73°γ: 90.00°
Resolution1.76 Å

Experimental data
ReflectionsAll: 31953Test set: 1598 (5.0%)
Resolution range42.81 Å1.76 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.19600.20050.21220.2154
R-free0.25400.24900.24550.2506
σR-free 0.00440.00430.0044
R-free Z-score -1.142.982.64

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-2.026-2.055-1.999
2nd generation packing quality1-2.852-2.866-2.747
Ramachandran plot appearance10.0040.3520.415
Chi-1/Chi-2 rotamer normality1-0.4090.3310.545
Backbone conformation1-0.087-0.284-0.199
Bond length RMS Z-score20.3420.4980.513
Bond angle RMS Z-score20.6360.7310.758
Total number of bumps3462935
Unsatisfied H-bond donors/acceptors3263235
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 residues014
Significantly deteriorated residues1686
Changes of all residuesPlot Plot

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