9IE4

Human Deoxyhypusine Synthase Fragment Screening Campaign - ligand VT00229

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-13
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9763
Spacegroup name	P 32 2 1
Unit cell lengths	105.073, 105.073, 160.301
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.080 - 1.340
R-factor	0.20702
Rwork	0.206
R-free	0.22071
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.916
Data reduction software	XDS
Data scaling software	XDS
Phasing software	DIMPLE
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.080	1.420
High resolution limit [Å]	1.340	1.340
Rmeas	0.084	4.446
Number of reflections	219327	34670
<I/σ(I)>	11.04	0.22
Completeness [%]	95.7
Redundancy	10.62
CC(1/2)	0.999	0.215

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	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