PDB entry 3g6h



Structure
SpacegroupP 1
Cell dimensionsa: 41.938 Åb: 63.344 Åc: 74.179 Å
α: 100.99°β: 89.39°γ: 90.20°
Resolution2.35 Å

Experimental data
ReflectionsAll: 28182Test set: 1435 (5.1%)
Resolution range34.74 Å2.35 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.22500.23030.20850.2064
R-free0.28300.28530.24180.2396
σR-free 0.00530.00450.0045
R-free Z-score 3.096.986.84

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-1.794-1.515-1.629
2nd generation packing quality1-1.552-1.175-1.167
Ramachandran plot appearance1-1.575-0.997-1.076
Chi-1/Chi-2 rotamer normality1-2.622-1.510-1.562
Backbone conformation1-0.427-0.429-0.541
Bond length RMS Z-score20.6080.4380.410
Bond angle RMS Z-score20.7160.6220.617
Total number of bumps3635352
Unsatisfied H-bond donors/acceptors3342921
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 residues10750
Significantly deteriorated residues10
Changes of all residuesPlot Plot

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