1BL9

CONFORMATIONAL CHANGES OCCURRING UPON REDUCTION IN NITRITE REDUCTASE FROM PSEUDOMONAS AERUGINOSA

Experimental procedure

Source type	SYNCHROTRON
Source details	LURE BEAMLINE DW32
Synchrotron site	LURE
Beamline	DW32
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-04
Detector	MAR scanner 345 mm plate
Spacegroup name	P 21 21 2
Unit cell lengths	166.610, 89.000, 112.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.000 - 2.900
R-factor	0.2107
Rwork	0.211
R-free	0.23360 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.021
RMSD bond angle	26.180 *
Data reduction software	DENZO
Data scaling software	CCP4
Phasing software	X-PLOR (3.843)
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	12.000	2.980
High resolution limit [Å]	2.900	2.900
Rmerge	0.094	0.420
Total number of observations	401690 *
Number of reflections	36815
<I/σ(I)>	5.2	1.8
Completeness [%]	97.5	98.5
Redundancy	3.5	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	8.4 *		pH 7.2

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	sodium potassium phosphate	2 (M)
2	1	1	Tris-HCl	50 (mM)