4HS4

Crystal structure of a putative chromate reductase from Gluconacetobacter hansenii, Gh-ChrR, containing a Y129N substitution.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2012-09-27
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 21
Unit cell lengths	90.422, 92.146, 188.013
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.960 - 2.100
R-factor	0.2083
Rwork	0.208
R-free	0.23170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.186
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.1_1161))

Data quality characteristics

	Overall
Low resolution limit [Å]	44.960
High resolution limit [Å]	2.100
Number of reflections	91997
Completeness [%]	99.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	1.5 uL protein at 16 mg/mL (300 mM NaCl, 50 mM NaPO4, 250 mM imidazole, pH 8) plus 1.5 uL precipatant (20% (w/v) PEG3350, 200 mM magnesium formate), VAPOR DIFFUSION, HANGING DROP, temperature 295K