6XXL

Crystal Structure of Human Deoxyhypusine Synthase in complex with spermine

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	2019-02-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 32 2 1
Unit cell lengths	104.898, 104.898, 160.429
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.085 - 1.690
R-factor	0.162
Rwork	0.162
R-free	0.17930
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]	46.085	46.085	1.790
High resolution limit [Å]	1.688	5.040	1.690
Rmerge	0.105	0.036	4.333
Rmeas	0.108	0.037	4.444
Number of reflections	114776	4610	18176
<I/σ(I)>	17.69	79.77	0.75
Completeness [%]	99.8	99.8	98.7
Redundancy	19.899	18.674	20.124
CC(1/2)	1.000	1.000	0.589

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