PDB entry 4k5d



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 51.957 Åb: 110.933 Åc: 164.384 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.10 Å

Experimental data
ReflectionsAll: 56507Test set: 2786 (4.9%)
Resolution range43.92 Å2.10 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.19000.18880.19510.1971
R-free0.23300.23230.21760.2201
σR-free 0.00440.00410.0042
R-free Z-score 1.166.766.60

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.906-0.839-0.794
2nd generation packing quality1-1.374-1.255-1.216
Ramachandran plot appearance1-0.4430.3020.293
Chi-1/Chi-2 rotamer normality1-1.924-0.948-0.410
Backbone conformation1-0.951-0.823-0.786
Bond length RMS Z-score20.6540.3140.318
Bond angle RMS Z-score20.7190.5800.571
Total number of bumps3765960
Unsatisfied H-bond donors/acceptors3534351
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 residues33
Significantly deteriorated residues2221
Changes of all residuesPlot Plot

Download

Links