4H6P

Crystal structure of a putative chromate reductase from Gluconacetobacter hansenii, Gh-ChrR, containing a R101A 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	2012-04-19
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 21 21 2
Unit cell lengths	94.918, 287.590, 91.362
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.191 - 2.556
R-factor	0.2348
Rwork	0.233
R-free	0.27120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3s2y
RMSD bond length	0.007
RMSD bond angle	1.329
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.191	2.587
High resolution limit [Å]	2.556	2.556
Number of reflections	85635
Completeness [%]	100.0	89

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	1:1 mixture of protein (~12 mg/mL) in 100 mM NaCl, 20 mM TrisHCl, 1 mM DTT, pH 7 and precipatant (Emerald BioSystems) 25% w/v PEG3350, 4% isopropanol, 0.1 M HEPES (pH 7.5) 0.1 M CaCl2, VAPOR DIFFUSION, HANGING DROP, temperature 295K