9ID3

Human Deoxyhypusine Synthase Fragment Screening Campaign - ligandT00025

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	105.188, 105.188, 160.520
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.550 - 1.390
Rwork	0.187
R-free	0.20310
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XDS
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.140	1.470
High resolution limit [Å]	1.390	1.390
Rmeas	0.080	3.484
Number of reflections	205932	19937
<I/σ(I)>	12.29	0.37
Completeness [%]	99.8	99.1
Redundancy	10.72
CC(1/2)	0.999	0.327

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