PDB entry 4m9n



Structure
SpacegroupP 1 21 1
Cell dimensionsa: 54.523 Åb: 79.215 Åc: 54.685 Å
α: 90.00°β: 106.24°γ: 90.00°
Resolution2.27 Å

Experimental data
ReflectionsAll: 19941Test set: 1987 (10.0%)
Resolution range13.92 Å2.28 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.19200.20670.19690.1972
R-free0.22700.24060.23100.2408
σR-free 0.00540.00520.0054
R-free Z-score 6.696.274.30

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.123-0.1300.040
2nd generation packing quality1-0.971-0.905-0.237
Ramachandran plot appearance10.2800.1000.265
Chi-1/Chi-2 rotamer normality10.286-0.330-0.629
Backbone conformation10.5400.3600.372
Bond length RMS Z-score20.3130.3320.346
Bond angle RMS Z-score20.5600.6350.663
Total number of bumps3625254
Unsatisfied H-bond donors/acceptors311138
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 residues64
Significantly deteriorated residues03
Changes of all residuesPlot Plot

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