PDB entry 4jgc



Structure
SpacegroupC 1 2 1
Cell dimensionsa: 91.486 Åb: 53.555 Åc: 81.902 Å
α: 90.00°β: 95.10°γ: 90.00°
Resolution2.58 Å

Experimental data
ReflectionsAll: 11604Test set: 585 (5.0%)
Resolution range45.56 Å2.58 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.23000.25100.20300.2016
R-free0.28300.30950.24970.2430
σR-free 0.01280.01030.0100
R-free Z-score 4.254.344.93

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-1.762-1.776-1.396
2nd generation packing quality1-2.432-2.103-1.758
Ramachandran plot appearance1-1.233-1.780-2.213
Chi-1/Chi-2 rotamer normality10.176-1.176-0.150
Backbone conformation1-0.224-0.691-0.451
Bond length RMS Z-score20.5480.5150.299
Bond angle RMS Z-score20.7170.7560.603
Total number of bumps3786041
Unsatisfied H-bond donors/acceptors3231823
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 residues12432
Significantly deteriorated residues00
Changes of all residuesPlot Plot

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