PDB entry 1jfg



Warnings!

Structure
SpacegroupP 31 2 1
Cell dimensionsa: 122.574 Åb: 122.574 Åc: 150.869 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.50 Å

Experimental data
ReflectionsAll: 42182Test set: 3333 (7.9%)
Resolution range14.94 Å2.50 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.21700.21730.17380.1767
R-free0.25400.25190.21470.2095
σR-free 0.00310.00260.0026
R-free Z-score 10.064.507.96

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.0160.2780.357
2nd generation packing quality1-1.587-1.308-1.065
Ramachandran plot appearance1-1.103-0.1050.361
Chi-1/Chi-2 rotamer normality1-2.312-0.7270.481
Backbone conformation1-0.1350.2020.239
Bond length RMS Z-score20.4230.5570.381
Bond angle RMS Z-score20.6560.7810.631
Total number of bumps31095935
Unsatisfied H-bond donors/acceptors3423942
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 residues153106
Significantly deteriorated residues00
Changes of all residuesPlot Plot

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