9OQZ

N-hydroxylamine dehydratase (NohD) A59N/R144Y/V96A (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	78.216, 78.216, 88.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.110 - 2.130
R-factor	0.2284
Rwork	0.226
R-free	0.27410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.957
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]	39.110	2.190
High resolution limit [Å]	2.130	2.130
Rpim	0.019	0.631
Number of reflections	15977	1265
<I/σ(I)>	27.3	1.7
Completeness [%]	100.0
Redundancy	28.8
CC(1/2)	0.999	0.779

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	1.3M ammonium sulfate