PDB entry 1cj1



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 73.800 Åb: 93.300 Åc: 232.800 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution3.00 Å

Experimental data
ReflectionsAll: 29753Test set: 1437 (4.8%)
Resolution range29.83 Å3.00 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.30500.26290.25680.2582
R-free0.31700.27280.26680.2754
σR-free 0.00720.00700.0073
R-free Z-score 5.935.914.71

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.610-0.470-0.505
2nd generation packing quality1-0.442-0.080-0.093
Ramachandran plot appearance1-1.927-2.462-2.521
Chi-1/Chi-2 rotamer normality1-4.344-1.2391.217
Backbone conformation10.1400.1540.066
Bond length RMS Z-score21.1890.2700.375
Bond angle RMS Z-score21.3170.5740.695
Total number of bumps33584584
Unsatisfied H-bond donors/acceptors3199190180
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 residues1123
Significantly deteriorated residues1219
Changes of all residuesPlot Plot

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