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4uoa redone
Structure of the A_Canine_Colorado_17864_06 H3 haemagglutinin Met29Ile mutant

This information was created with PDB-REDO version 7.32. Please log in to request an update.

Crystallographic data
From PDB header
Spacegroup H 3 2 a: 99.678 Å b: 99.678 Å c: 397.212 Å α: 90.00° β: 90.00° γ: 120.00°
Resolution 2.50 Å Reflections 26728 Test set 1341 (5.0%)
R 0.2380 R-free 0.2650
According to PDB-REDO
Resolution 2.50 Å Reflections 26728 Test set 1341 (5.0%) Twin false
PDB-REDO files
Re-refined and rebuilt structure
( PDB | mmCIF | MTZ)
Re-refined (only) structure
( PDB | MTZ)
All files
(compressed)
Links
PDBe RCSB PDB 3D bionotes Proteopedia
Validation metrics from PDB-REDO
PDB PDB-REDO
Crystallographic refinement
R 0.2371 0.2169
R-free 0.2653 0.2624
Bond length RMS Z-score 0.358 0.509
Bond angle RMS Z-score 0.587 0.730
Model quality (raw scores | percentiles)
Ramachandran plot appearance -3.310 14 -3.565 12
Rotamer normality -3.202 37 -2.931 41
Coarse packing -1.326 9 -1.390 8
Fine packing -1.651 25 -1.466 33
Bump severity 0.761 1 0.242 4
Hydrogen bond satisfaction 0.863 18 0.848 13
WHAT_CHECK Report Report

Kleywegt-like plot

Model quality compared to resolution neighbours
Significant model changes
Description Count
Rotamers changed 18
Side chains flipped 2
Waters removed 8
Peptides flipped 1
Chiralities fixed 0
Residues fitting density better 4
Residues fitting density worse 0
Change in density map fit (RSCC)