4XYD

Nitric oxide reductase from Roseobacter denitrificans (RdNOR)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-03-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9762
Spacegroup name	P 2 21 21
Unit cell lengths	86.220, 98.830, 126.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.360 - 2.850
R-factor	0.19135
Rwork	0.188
R-free	0.24348
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3o0r
RMSD bond length	0.009
RMSD bond angle	1.588
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.360	3.000
High resolution limit [Å]	2.850	2.850
Number of reflections	25236
<I/σ(I)>	13.3	3.4
Completeness [%]	97.2	84.7
Redundancy	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.6	277	Crystallization reagent composed of 100 mM MOPS pH 7.6, 28 % (w/v) PEG 600. Protein solution 8mg/ml 20 mM MOPS pH 7.2, 100 mM NaCl, 0.4 % (w/v) nonyl-B-D-glucopyranoside. Mixed 1:1 in sitting drop at 4C.