2AVF

Crystal Structure of C-terminal Desundecapeptide Nitrite Reductase from Achromobacter cycloclastes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL12B2
Synchrotron site	SPring-8
Beamline	BL12B2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-12-26
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	85.783, 111.072, 122.884
Unit cell angles	90.00, 101.67, 90.00

Refinement procedure

Resolution	20.000 - 2.600
Rwork	0.182
R-free	0.21700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.600
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.690
High resolution limit [Å]	2.600	2.600
Number of reflections	69377
<I/σ(I)>	14.8	3.42
Completeness [%]	99.5	98.1
Redundancy	7.15

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.4	305	16% polyethylene glycol 8000, 0.2M ammonium sulfate, 0.1M sodium cacodylate buffer, pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 305K