9OQV

N-hydroxylamine dehydratase (NohD) R144Y/V96A (A1/A2) mutant 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	2021-06-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 41 21 2
Unit cell lengths	77.572, 77.572, 88.997
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.790 - 1.880
R-factor	0.2145
Rwork	0.213
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.210
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.790	1.920
High resolution limit [Å]	1.880	1.880
Rpim	0.019	0.459
Number of reflections	22732	1417
<I/σ(I)>	26.4	2.5
Completeness [%]	99.8
Redundancy	35.9
CC(1/2)	0.999	0.928

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	1.2M Ammonium sulfate