PDB entry 1c9u



Warnings!

Structure
SpacegroupC 2 2 21
Cell dimensionsa: 60.590 Åb: 158.720 Åc: 221.390 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.20 Å

Experimental data
ReflectionsAll: 48621Test set: 0 (0.0%)
Resolution range39.85 Å2.13 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.22300.23120.20870.2055
R-free0.28600.23320.24620.2447
σR-free 0.00330.00350.0035
R-free Z-score 21.337.977.20

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.285-0.163-0.162
2nd generation packing quality1-1.027-1.004-0.713
Ramachandran plot appearance1-2.743-1.445-1.316
Chi-1/Chi-2 rotamer normality1-2.051-1.541-0.930
Backbone conformation1-0.913-0.875-1.009
Bond length RMS Z-score20.2460.3670.370
Bond angle RMS Z-score20.7550.5990.594
Total number of bumps316814998
Unsatisfied H-bond donors/acceptors3624750
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 residues9482
Significantly deteriorated residues010
Changes of all residuesPlot Plot

Download

Links