PDB 1w9s experiment details and validation ‹ Protein Data Bank in Europe (PDBe) ‹ EMBL-EBI

X-ray diffraction

Source organism: Alkalihalobacillus halodurans

Resolution: 1.59Å

Reported R values:

R R_free R_work

0.11 0.16 0.11

Entry percentile scores

X-ray diffraction

Sample information

Author description:

Structure of a beta-1,3-glucan binding CBM6 from Bacillus halodurans

Source organism:

Alkalihalobacillus halodurans

Expression system:

Escherichia coli BL21(DE3)

Validation information

Metric	Description
Bond angles in protein, DNA, RNA molecules	7 outlier(s) of 3006 (%)
Bond lengths in protein, DNA, RNA molecules	2 outlier(s) of 2207 (%)
Electron density fit in protein, DNA, RNA molecules	0 outlier(s) of 273 (%)
Sidechain rotamer outliers in protein molecules	3 outlier(s) of 227 (%)

Experimental information

Dataset statistics

Metric	Value	Source
Cell dimensions	a: 30.795 Å b: 40.834 Å c: 56.118 Å α: 108.95° β: 105.93° γ: 90°	Depositor
Number of reflections	29988	Xtriage(Phenix)
Test set size	5.06%	EDS
Data completeness	90.1%	EDS
EDS resolution	1.59Å - 19.22Å	EDS
<I/σ(I)>	4.5	Xtriage(Phenix)
Twinning statistics	<\|L\|> = 0.49 , <L²> = 0.32	Xtriage(Phenix)
Spacegroup	P 1	Depositor
Possible (pseudo-) translation	The largest off-origin peak in the Patterson function is 11.31% of the height of the origin peak. No significant pseudotranslation is detected.	Xtriage(Phenix)
Wilson B	14 Å²	Xtriage(Phenix)

Refinement statistics

Metric	Value	Source
Refinement software	REFMAC	DCC
Bulk solvent B	40 Å²	EDS
Bulk solvent k	0.38 e^-/Å³	EDS
Fo-Fc correlation	0.975	EDS
R value (DCC)	0.131	DCC
R_free (DCC)	0.1774	DCC
R value (EDS)	0.1302	EDS

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1w9s @ RCSB
1w9s @ PDBj
1w9s @ PDBSum
1w9s @ Proteopedia

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