PDB entry 3eg1



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 45.996 Åb: 47.636 Åc: 55.662 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution1.85 Å

Experimental data
ReflectionsAll: 10111Test set: 1000 (9.9%)
Resolution range36.19 Å1.85 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.18500.19640.18370.1824
R-free0.24800.25200.24260.2418
σR-free 0.00800.00770.0076
Z(R-free) -1.04-1.91-2.04

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-1.878-1.753-1.767
2nd generation packing quality1-0.376-0.327-0.058
Ramachandran plot appearance1-0.4860.3660.380
Chi-1/Chi-2 rotamer normality1-3.757-2.778-2.539
Backbone conformation11.4611.4651.494
Bond length RMS Z-score20.4560.7980.784
Bond angle RMS Z-score20.9850.7770.776
Total number of bumps31099
Unsatisfied H-bond donors/acceptors3111113
LinkLinkLink

1 Higher is better, 2 Should be lower than 1.000, 3 Fewer is better


Density map fit (real-space correlation coefficient)
Significantly improved residues4
Significantly deteriorated residues0
Changes of all residuesPlot

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