2DWT

Cu-containing nitrite reductase at pH 6.0 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	2005-04-27
Detector	MAR CCD 165 mm
Spacegroup name	H 3
Unit cell lengths	74.740, 74.740, 153.146
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.710 - 1.900
Rwork	0.199
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zv2
RMSD bond length	0.020
RMSD bond angle	1.878
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	24.710	37.370	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge	0.060	0.035	0.363
Total number of observations		2415	11504
Number of reflections	24972
<I/σ(I)>	7.2	17.2	1.8
Completeness [%]	99.3	93.6	100
Redundancy	3.2	3.2	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	Tris, MgCl2, NaNO2, PEG 4000, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K