PDB entry 1kfv



Warnings!

Structure
SpacegroupP 1 21 1
Cell dimensionsa: 69.880 Åb: 62.030 Åc: 80.970 Å
α: 90.00°β: 104.70°γ: 90.00°
Resolution2.55 Å

Experimental data
ReflectionsAll: 21888Test set: 2170 (9.9%)
Resolution range24.56 Å2.55 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.25100.25320.22940.2228
R-free0.28500.28500.25790.2626
σR-free 0.00430.00390.0040
R-free Z-score 19.0919.1515.12

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.528-0.383-0.525
2nd generation packing quality1-1.291-0.993-0.850
Ramachandran plot appearance1-3.135-1.201-1.814
Chi-1/Chi-2 rotamer normality1-2.224-1.468-2.062
Backbone conformation1-0.433-0.031-0.139
Bond length RMS Z-score20.3900.3040.446
Bond angle RMS Z-score20.6960.6160.734
Total number of bumps318994104
Unsatisfied H-bond donors/acceptors3433331
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 residues9118
Significantly deteriorated residues13
Changes of all residuesPlot Plot

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