PDB entry 4frc



Warnings!

Structure
SpacegroupP 1 21 1
Cell dimensionsa: 42.179 Åb: 41.584 Åc: 72.296 Å
α: 90.00°β: 104.20°γ: 90.00°
Resolution0.98 Å

Experimental data
ReflectionsAll: 128518Test set: 1990 (1.5%)
Resolution range16.27 Å0.98 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.12300.11650.10950.1180
R-free0.13900.11790.11610.1289
σR-free 0.00260.00260.0029
R-free Z-score 6.544.122.69

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.071-0.122-0.075
2nd generation packing quality1-2.863-2.944-2.431
Ramachandran plot appearance1-1.316-1.155-1.121
Chi-1/Chi-2 rotamer normality10.7531.0531.539
Backbone conformation1-0.567-0.572-0.542
Bond length RMS Z-score20.7470.5300.554
Bond angle RMS Z-score21.2410.8510.841
Total number of bumps319137
Unsatisfied H-bond donors/acceptors39911
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 residues5071
Significantly deteriorated residues3369
Changes of all residuesPlot Plot

Download

Links