PDB entry 1u54



Structure
SpacegroupC 1 2 1
Cell dimensionsa: 200.384 Åb: 42.332 Åc: 70.848 Å
α: 90.00°β: 96.28°γ: 90.00°
Resolution2.80 Å

Experimental data
ReflectionsAll: 14697Test set: 684 (4.7%)
Resolution range35.69 Å2.80 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.22200.23520.26640.2679
R-free0.32200.32580.31460.3176
σR-free 0.01250.01200.0121
Z(R-free) -3.490.420.32

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-1.709-1.031-0.929
2nd generation packing quality1-1.065-0.232-0.307
Ramachandran plot appearance1-3.991-1.435-1.238
Chi-1/Chi-2 rotamer normality1-4.421-2.105-1.943
Backbone conformation1-0.1740.5080.483
Bond length RMS Z-score20.7830.3280.340
Bond angle RMS Z-score20.9560.6250.653
Total number of bumps3915173
Unsatisfied H-bond donors/acceptors3443341
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 residues113
Significantly deteriorated residues2
Changes of all residuesPlot

Download

Links