1HZV

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

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2000-03-25
Detector	MARRESEARCH
Wavelength(s)	1.7389,1.7401,0.9918
Spacegroup name	P 41 21 2
Unit cell lengths	94.744, 94.744, 159.901
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.910 - 2.830
R-factor	0.282 *
Rwork	0.282
R-free	0.29600
Structure solution method	MAD
RMSD bond length	0.021
RMSD bond angle	2.400
Data reduction software	DENZO
Data scaling software	CCP4 ((SCALA))
Phasing software	MLPHARE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.038	0.360
Number of reflections	17423
<I/σ(I)>	13.1	2.1
Completeness [%]	97.7	99.8
Redundancy	4.6	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.5	293	PEG6000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	Vapor diffusion *	6.5	293	PEG6000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG6000	11.5 (%)
2	1	reservoir	imidazole malate	0.2 (M)