4N4K

Kuenenia stuttgartiensis hydroxylamine oxidoreductase soaked in hydroxylamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-08-11
Detector	PSI PILATUS 6M
Wavelength(s)	1.00000
Spacegroup name	P 21 3
Unit cell lengths	130.070, 130.070, 130.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.990 - 2.200
R-factor	0.16817
Rwork	0.167
R-free	0.18723
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4n4j
RMSD bond length	0.008
RMSD bond angle	0.961
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC (5.5.010)
Refinement software	REFMAC (5.5.010)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.000	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.076	0.356
Number of reflections	35645
<I/σ(I)>	17.3	4.9
Completeness [%]	99.9	100
Redundancy	6.6	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	1.3 M ammonium sulfate, 0.05-0.10 M sodium phosphate, pH 7.4, detergent additive cyclohexylbutanoyl-N-hydroxyethylglucamide (C-HEGA-10), VAPOR DIFFUSION, HANGING DROP, temperature 293K