6P73

Cytochrome-C-nitrite reductase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	Xenocs GeniX 3D Cu HF
Temperature [K]	110
Detector technology	CCD
Collection date	2014-02-17
Detector	RAYONIX SX-165mm
Wavelength(s)	1.540
Spacegroup name	P 21 21 21
Unit cell lengths	50.180, 96.070, 222.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.775 - 1.650
R-factor	0.1725
Rwork	0.171
R-free	0.21150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ubr
RMSD bond length	0.013
RMSD bond angle	1.010
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.800	1.760
High resolution limit [Å]	1.650	1.650
Rmerge	0.090	0.481
Number of reflections	97476	3946
<I/σ(I)>	8.7
Completeness [%]	76.3
Redundancy	4.1
CC(1/2)		0.781

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		285	PEG4000