9OQS

N-hydroxylamine dehydratase (NohD) crystal structure with heme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97853
Spacegroup name	P 41 21 2
Unit cell lengths	75.714, 75.714, 75.335
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.860 - 1.400
R-factor	0.1873
Rwork	0.186
R-free	0.20660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.025
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.860	1.420
High resolution limit [Å]	1.400	1.400
Rpim	0.013	0.430
Number of reflections	43685	2108
<I/σ(I)>	25.1	1.4
Completeness [%]	99.9
Redundancy	25.4
CC(1/2)	1.000	0.823

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	5 % PEG 3350, 0.1 M sodium acetate pH 5.0