1NIR

OXYDIZED NITRITE REDUCTASE FROM PSEUDOMONAS AERUGINOSA

Experimental procedure

Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID09
Synchrotron site	ESRF
Beamline	ID09
Temperature [K]	100
Detector technology	X RAY IMAGE INTENSIFIER (THOMPSON) +PRINCETON CCD DETECTOR
Collection date	1997-01
Detector	THOMPSON
Spacegroup name	P 21 21 2
Unit cell lengths	163.068, 90.072, 111.888
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.150
R-factor	0.209
Rwork	0.209
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	26.590 *
Data reduction software	DENZO
Data scaling software	CCP4
Phasing software	AMoRE
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.270
High resolution limit [Å]	2.150	2.150
Rmerge	0.063	0.214
Total number of observations	892032 *
Number of reflections	91663
<I/σ(I)>	7.7	3.4
Completeness [%]	99.3	96.9
Redundancy	3.8	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	8.4		PROTEIN WAS CRYSTALLIZED FROM @M NA/K2 PHOSPHATE, 50MM TRIS-HCL, PH 8.4

Crystallization Reagents in Literatures

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