PDB entry 1k4c



Warnings!

Structure
SpacegroupI 4
Cell dimensionsa: 155.330 Åb: 155.330 Åc: 76.270 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.00 Å

Experimental data
ReflectionsAll: 60791Test set: 6126 (10.1%)
Resolution range42.84 Å2.00 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.21800.21440.15960.1621
R-free0.23300.21220.18930.1945
σR-free 0.00270.00240.0025
Z(R-free) 15.30-0.25-1.12

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.1160.1240.158
2nd generation packing quality1-0.244-0.0570.406
Ramachandran plot appearance10.0310.9110.865
Chi-1/Chi-2 rotamer normality1-0.852-1.366-1.162
Backbone conformation10.8540.9690.886
Bond length RMS Z-score20.2940.6810.693
Bond angle RMS Z-score20.6330.7930.787
Total number of bumps3613928
Unsatisfied H-bond donors/acceptors3181618
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 residues415
Significantly deteriorated residues0
Changes of all residuesPlot

Download

Links