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

X-ray diffraction

Source organism: Pseudomonas putida

Resolution: 2.3Å

Reported R values:

R R_free R_work

0.19 Not available 0.19

Entry percentile scores

X-ray diffraction

Sample information

Author description:

THE STRUCTURE OF THE D-GLUCARATE DEHYDRATASE PROTEIN FROM PSEUDOMONAS PUTIDA

Source organism:

Pseudomonas putida

Expression system:

Escherichia coli

Validation information

Metric	Description
Bond angles in protein, DNA, RNA molecules	52 outlier(s) of 4219 (%)
Bond lengths in protein, DNA, RNA molecules	17 outlier(s) of 3100 (%)
Electron density fit in protein, DNA, RNA molecules	0 outlier(s) of 399 (%)
Sidechain rotamer outliers in protein molecules	23 outlier(s) of 306 (%)

Experimental information

X-ray source:

RIGAKU RUH2R

Dataset statistics

Metric	Value	Source
Cell dimensions	a: 69.623 Å b: 108.786 Å c: 122.573 Å α: 90° β: 90° γ: 90°	Depositor
Number of reflections	29034	Xtriage(Phenix)
Data completeness	75.6%	EDS
EDS resolution	1.96Å - 42.37Å	EDS
<I/σ(I)>	0	Xtriage(Phenix)
Twinning statistics	<\|L\|> = 0.51 , <L²> = 0.34	Xtriage(Phenix)
Spacegroup	I 2 2 2	Depositor
Possible (pseudo-) translation	The largest off-origin peak in the Patterson function is 5.32% of the height of the origin peak. No significant pseudotranslation is detected.	Xtriage(Phenix)
Wilson B	27 Å²	Xtriage(Phenix)

Refinement statistics

Metric	Value	Source
Refinement software	REFMAC	DCC
Bulk solvent B	142 Å²	EDS
Bulk solvent k	0.31 e^-/Å³	EDS
Fo-Fc correlation	0.963	EDS
R value (DCC)	0.1649	DCC
R value (EDS)	0.186	EDS

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