7A6T

Crystal Structure of Asn173Ser variant of Human Deoxyhypusine Synthase in complex with NAD and spermidine

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	2019-10-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 32 2 1
Unit cell lengths	105.032, 105.032, 159.997
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.010 - 1.660
R-factor	0.171
Rwork	0.171
R-free	0.19260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6xxj
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.010	46.010	1.760
High resolution limit [Å]	1.660	4.950	1.660
Rmerge	0.162	0.046	3.615
Rmeas	0.170	0.049	3.809
Total number of observations	1218148
Number of reflections	120759	4838	19252
<I/σ(I)>	9.47	44.33	0.55
Completeness [%]	99.9	99.8	99.5
Redundancy	10.087	9.541	10.074
CC(1/2)	0.998	0.999	0.462

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.025-0.125 mM carboxylic acid mix, 30-60% precipitant mix (MPD, PEG 3350, PEG 1000), 100 mM Tris-Bicine pH = 8.5