6T5E

Hydroxylamine Oxidoreductase from Brocadia fulgida

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-01
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.00000
Spacegroup name	P 21 3
Unit cell lengths	124.560, 124.560, 124.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.080 - 3.300
R-factor	0.2224
Rwork	0.220
R-free	0.26420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4n4j
RMSD bond length	0.003
RMSD bond angle	0.886
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	88.080	3.400
High resolution limit [Å]	3.300	3.300
Rmerge	0.175	1.560
Rmeas	0.184
Number of reflections	18802	1404
<I/σ(I)>	11.3
Completeness [%]	100.0	100
Redundancy	10.3	10.8
CC(1/2)	0.998	0.653

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	1.0 M Lithium chloride, 0.1 M Tris pH 8.5 10% w/v PEG 6K, final pH 8.0