8A0F

Crystal structure of human deoxyhypusine synthase variant K329A in complex with NAD and SPD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-23
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9184
Spacegroup name	P 32 2 1
Unit cell lengths	105.241, 105.241, 160.220
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.080 - 1.640
R-factor	0.1563
Rwork	0.156
R-free	0.17770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6xxj
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.080	46.080	1.740
High resolution limit [Å]	1.640	4.900	1.640
Rmerge	0.137	0.040	3.203
Rmeas	0.144	0.042	3.355
Total number of observations	1381279
Number of reflections	124222	5007	18976
<I/σ(I)>	11.5	49.23	0.71
Completeness [%]	99.1	99.8	94.7
Redundancy	11.119	10.301	11.226
CC(1/2)	0.999	0.999	0.453

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	Protein (20 mg/ml) mixed with with equal volume of mother liquor: 0.025-0.125 mM carboxylic acid mix, 30-60% precipitant mix (MPD, PEG 1000, PEG 3350) and 100mM Tris-Bicine pH 8.5. conditions based on Morpheus screen.