1HZU

DOMAIN SWING UPON HIS TO ALA MUTATION IN NITRITE REDUCTASE OF PSEUDOMONAS AERUGINOSA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2000-04-22
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9327
Spacegroup name	P 43 2 2
Unit cell lengths	70.523, 70.523, 281.228
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.860 - 2.700
R-factor	0.214
Rwork	0.210
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nir
RMSD bond length	0.010
RMSD bond angle	1.700
Data reduction software	DENZO
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.790
High resolution limit [Å]	2.700	2.700
Rmerge	0.046	0.321
Number of reflections	19479
<I/σ(I)>	6.6	2.3
Completeness [%]	95.8	97.2 *
Redundancy	5.1	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	5.5	293	PEG 5000, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG5000 MME	4.0 (%(w/v))
2	1	reservoir	sodium acetate	0.1 (M)