2DWS

Cu-containing nitrite reductase at pH 8.4 with bound nitrite

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	100
Detector technology	CCD
Collection date	2003-06-18
Detector	MAR CCD 165 mm
Wavelength(s)	0.996
Spacegroup name	H 3
Unit cell lengths	82.204, 82.204, 146.152
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.460 - 1.850
Rwork	0.168
R-free	0.19900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zv2
RMSD bond length	0.013
RMSD bond angle	1.575
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.460	1.920
High resolution limit [Å]	1.850	1.850
Number of reflections	31708
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.4	298	Tris, MgCl2, NaNO2, PEG 4000, pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K