PDB entry 3imj



Warnings!

Structure
SpacegroupP 1 21 1
Cell dimensionsa: 31.595 Åb: 85.511 Åc: 41.641 Å
α: 90.00°β: 98.47°γ: 90.00°
Resolution2.02 Å

Experimental data
ReflectionsAll: 13813Test set: 697 (5.0%)
Resolution range29.35 Å2.02 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.20000.20480.15750.1735
R-free0.22900.20700.21590.2258
σR-free 0.00550.00580.0060
R-free Z-score 10.04-2.47-0.62

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.632-0.265-0.302
2nd generation packing quality1-1.128-1.121-0.806
Ramachandran plot appearance1-1.376-0.629-0.117
Chi-1/Chi-2 rotamer normality1-0.0060.9460.676
Backbone conformation10.5160.4890.664
Bond length RMS Z-score20.5440.7550.418
Bond angle RMS Z-score20.7850.9040.695
Total number of bumps3264013
Unsatisfied H-bond donors/acceptors31886
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 residues3733
Significantly deteriorated residues01
Changes of all residuesPlot Plot

Download

Links