6XXI

Crystal Structure of Human Deoxyhypusine Synthase in complex with NAD

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	2019-02-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 32 2 1
Unit cell lengths	104.819, 104.819, 160.499
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.091 - 1.679
R-factor	0.1541
Rwork	0.154
R-free	0.16620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dhs
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX (v.1.17.1)
Refinement software	PHENIX (v.1.17.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.091	46.091	1.780
High resolution limit [Å]	1.679	5.010	1.680
Rmerge	0.126	0.072	2.021
Rmeas	0.135	0.077	2.153
Number of reflections	116359	4631	18588
<I/σ(I)>	8.88	28.64	0.92
Completeness [%]	99.7	98.9	99.4
Redundancy	8.419	8.085	8.556
CC(1/2)	0.996	0.994	0.737

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 1000, PEG 3350), 100 mM Tris-Bicine pH = 8.5