PDB entry 3tgs



Structure
SpacegroupC 2 2 21
Cell dimensionsa: 66.960 Åb: 126.000 Åc: 191.480 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.70 Å

Experimental data
ReflectionsAll: 17106Test set: 855 (5.0%)
Resolution range44.84 Å2.67 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.23900.24600.24600.2575
R-free0.29500.30340.30340.3305
σR-free 0.0104NA0.0113
Z(R-free) -0.79NA-1.90

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-1.122-1.120-0.981
2nd generation packing quality1-2.615-2.615-2.390
Ramachandran plot appearance1-3.695-3.695-3.234
Chi-1/Chi-2 rotamer normality1-2.417-2.419-3.710
Backbone conformation10.2810.281-0.206
Bond length RMS Z-score20.2850.2860.560
Bond angle RMS Z-score20.4300.4310.748
Total number of bumps3136136191
Unsatisfied H-bond donors/acceptors3888997
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 residues36
Significantly deteriorated residues18
Changes of all residuesPlot

Download

Links