2VW6

NITRITE REDUCTASE FROM ALCALIGENES XYLOSOXIDANS - 3 OF 3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX10.1
Synchrotron site	SRS
Beamline	PX10.1
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	H 3
Unit cell lengths	89.099, 89.099, 288.395
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	96.230 - 1.900
R-factor	0.163
Rwork	0.162
R-free	0.19400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oe1
RMSD bond length	0.011
RMSD bond angle	1.321
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.3.0037)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.200	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.040	0.160
Number of reflections	65507
<I/σ(I)>	20.6	4
Completeness [%]	97.7	81.1
Redundancy	2.5	1.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		pH 6.5