9OQX

N-hydroxylamine dehydratase (NohD) H2F/F4P/P5S/R6Y/R144Y/V96A (P1/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	87.672, 87.672, 147.509
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.210 - 1.680
R-factor	0.1985
Rwork	0.198
R-free	0.22580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.070
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]	39.210	1.710
High resolution limit [Å]	1.680	1.680
Rpim	0.011	0.607
Number of reflections	66219	3291
<I/σ(I)>	39.4	1.7
Completeness [%]	99.9
Redundancy	27.8
CC(1/2)	1.000	0.720

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	1.0M ammonium sulfate