PDB entry 4p01



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 68.144 Åb: 68.386 Åc: 87.685 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.07 Å

Experimental data
ReflectionsAll: 25499Test set: 1303 (5.1%)
Resolution range25.07 Å2.07 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.18600.19010.17380.1692
R-free0.22800.22730.20480.2024
σR-free 0.00630.00570.0056
Z(R-free) 0.951.490.93

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.0790.0610.452
2nd generation packing quality10.8740.8171.553
Ramachandran plot appearance10.0280.3760.387
Chi-1/Chi-2 rotamer normality1-1.135-0.673-0.184
Backbone conformation11.0421.1621.082
Bond length RMS Z-score20.8490.7680.753
Bond angle RMS Z-score20.8360.7870.795
Total number of bumps3272515
Unsatisfied H-bond donors/acceptors391013
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 residues1
Changes of all residuesPlot

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