1GJQ

Pseudomonas aeruginosa cd1 nitrite reductase reduced cyanide complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-09-15
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	167.400, 88.600, 113.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.000 - 2.700
R-factor	0.204
Rwork	0.204
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nno
RMSD bond length	0.012
RMSD bond angle	25.700 *
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.000	2.770
High resolution limit [Å]	2.700	2.700
Rmerge	0.095	0.356
Number of reflections	42035
<I/σ(I)>	6.3	2.1
Completeness [%]	90.3	89.3
Redundancy	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	8.4 *		2M 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	sodium potassium phosphate	2 (M)
2	1	1	Tris-HCl	50 (mM)	pH8.4