1GS7

Crystal structure of H254F mutant of Alcaligenes xylosoxidans Nitrite Reductase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.5
Synchrotron site	SRS
Beamline	PX9.5
Temperature [K]	100
Detector technology	CCD
Collection date	2001-11-15
Detector	MARRESEARCH
Spacegroup name	P 63
Unit cell lengths	78.903, 78.903, 98.423
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	69.010 - 1.850
R-factor	0.155
Rwork	0.153
R-free	0.19400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ndt
RMSD bond length	0.025
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.000	1.880
High resolution limit [Å]	1.850	1.850
Rmerge	0.059	0.331
Number of reflections	29614
<I/σ(I)>	13.9	2.4
Completeness [%]	98.5	97.2
Redundancy	8.5	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		40-50% PEG-MME 550, 10MM ZNSO4, 0.1M MES PH6.5, pH 6.50