9OQT

N-hydroxylamine dehydratase (NohD) T98A/K167A mutant crystal structure with heme and N-hydroxylated ornithine (2.5h soak)

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	2020-09-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 41 21 2
Unit cell lengths	67.703, 67.703, 193.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.890 - 1.820
R-factor	0.1924
Rwork	0.191
R-free	0.21420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.907
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.370	1.860
High resolution limit [Å]	1.820	1.820
Rpim	0.054	0.415
Number of reflections	41379	2394
<I/σ(I)>	8.4	1.1
Completeness [%]	100.0
Redundancy	19
CC(1/2)	0.997	0.836

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	1.4 M ammonium phosphate dibasic, 0.2 M sodium chloride, 0.1 M imidazole pH 8.0