9OQW

N-hydroxylamine dehydratase (NohD) H2F/F4P/P5S/R6Y/A59N/R144A (P1/P2/A1) 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	2020-11-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 41 21 2
Unit cell lengths	86.898, 86.898, 146.948
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.860 - 2.000
R-factor	0.2087
Rwork	0.207
R-free	0.23610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.027
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]	38.860	2.050
High resolution limit [Å]	2.000	2.000
Rpim	0.018	0.553
Number of reflections	38860	2825
<I/σ(I)>	28.4	1.8
Completeness [%]	100.0
Redundancy	51.1
CC(1/2)	1.000	0.902

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	16% PEG 10,000, 0.2 M ammonium acetate, 0.1 M Bis-Tris pH 5.5