9ID1

Human Deoxyhypusine Synthase Fragment Screening Campaign - ligand VT00015

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	105.260, 105.260, 160.650
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.170 - 1.620
R-factor	0.18061
Rwork	0.187
R-free	0.19540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	2.019
Data reduction software	XDS
Data scaling software	XDS
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.170	1.760
High resolution limit [Å]	1.620	1.620
Rmerge	0.088	2.012
Rmeas	0.091	2.688
Number of reflections	130668	19377
<I/σ(I)>	14.12	0.89
Completeness [%]	99.9	99.7
Redundancy	11.39
CC(1/2)	0.999	0.542

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	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