8V37

Crystal structure of HpsN D352A mutant from Cupriavidus pinatubonensis in complex with NAD+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	76.784, 88.348, 134.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.213 - 2.228
Rwork	0.212
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.856
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0415)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.700	2.300
High resolution limit [Å]	2.228	2.230
Rmerge	0.086	1.119
Rpim	0.039	0.533
Number of reflections	45320	4057
<I/σ(I)>	10.4
Completeness [%]	99.8
Redundancy	6.7
CC(1/2)	1.000	0.621

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	HEPES, magnesium chlroide, PEG 4000