PDB entry 4j0j



Structure
SpacegroupP 1
Cell dimensionsa: 46.251 Åb: 62.726 Åc: 83.466 Å
α: 70.47°β: 86.55°γ: 79.13°
Resolution2.00 Å

Experimental data
ReflectionsAll: 56871Test set: 2860 (5.0%)
Resolution range19.69 Å2.00 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.18400.17680.17870.1813
R-free0.21700.21130.20730.2100
σR-free 0.00400.00390.0039
R-free Z-score 3.555.315.46

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.533-0.445-0.401
2nd generation packing quality1-0.846-0.673-0.675
Ramachandran plot appearance1-0.3140.044-0.039
Chi-1/Chi-2 rotamer normality1-1.575-1.095-1.109
Backbone conformation1-0.1340.0280.013
Bond length RMS Z-score20.2560.3750.384
Bond angle RMS Z-score20.5020.6020.605
Total number of bumps31038771
Unsatisfied H-bond donors/acceptors3367270
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 residues753
Significantly deteriorated residues75
Changes of all residuesPlot Plot

Download

Links