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4gzi redone

Active-site mutant of potato endo-1,3-beta-glucanase in complex with laminaratriose

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

Crystallographic data
From PDB header
Spacegroup	P 1 21 1	a: 54.895 Å	b: 49.273 Å	c: 57.075 Å	α: 90.00°	β: 98.38°	γ: 90.00°
Resolution	1.68 Å	Reflections	34202	Test set	1076 (3.1%)
R	0.1360	R-free	0.1710
According to PDB-REDO
Resolution	1.68 Å	Reflections	34202	Test set	1076 (3.1%)	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	0.1390	0.1380
R-free	0.1742	0.1713
Bond length RMS Z-score	0.726	0.734
Bond angle RMS Z-score	0.786	0.839
Model quality (raw scores \| percentiles)
Ramachandran plot appearance	-0.647 63	-0.567 66
Rotamer normality	1.101 98	1.098 98
Coarse packing	-0.321 45	-0.333 44
Fine packing	-2.179 10	-2.230 9
Bump severity	0.002 87	0.001 92
Hydrogen bond satisfaction	0.910 64	0.890 38
WHAT_CHECK	Report	Report

Kleywegt-like plot

Model quality compared to resolution neighbours

Significant model changes
Description	Count
Rotamers changed	7
Side chains flipped	0
Waters removed	8
Peptides flipped	0
Chiralities fixed	0
Residues fitting density better	2
Residues fitting density worse	0

Change in density map fit (RSCC)