9OR0

N-hydroxylamine dehydratase (NohD) H2F/F4P/P5S/R6Y/A59N/R144Y/V96A (P1/P2/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	87.101, 87.101, 147.377
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.950 - 1.750
R-factor	0.1952
Rwork	0.194
R-free	0.22130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.139
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]	38.950	1.780
High resolution limit [Å]	1.750	1.750
Rpim	0.012	0.845
Number of reflections	57903	3116
<I/σ(I)>	39	1.1
Completeness [%]	99.9
Redundancy	28.6
CC(1/2)	1.000	0.680

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	14% PEG 8000, 0.1 M ammonium acetate, 0.1 M Bis-Tris pH 5.5