2ZOO

Crystal structure of nitrite reductase from Pseudoalteromonas haloplanktis TAC125

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2007-09-29
Detector	Bruker DIP-6040
Wavelength(s)	0.9
Spacegroup name	P 41 3 2
Unit cell lengths	180.338, 180.338, 180.338
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.950
R-factor	0.16769
Rwork	0.166
R-free	0.18604
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kbw 1c52
RMSD bond length	0.013
RMSD bond angle	1.519
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.800	2.020
High resolution limit [Å]	1.950	1.950
Number of reflections	72995
Completeness [%]	99.1	99.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	277	Lithium sulfate, Ammonium sulfate, Sodium citrate, Sucrose, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K