8G84

Crystal structures of HSD17B13 complexes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	76.379, 187.205, 65.365
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.160 - 2.467
R-factor	0.2011
Rwork	0.200
R-free	0.22740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.890
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	BUSTER (2.11.8 (8-JUN-2022))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	93.600	2.640
High resolution limit [Å]	2.467	2.467
Rpim	0.077	0.579
Number of reflections	29109	1456
<I/σ(I)>	8.3
Completeness [%]	93.7	50.6
Redundancy	6.6	6.8
CC(1/2)	0.996	0.581

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	30% PEG3350, 0.2 M ammonium chloride