8G89

HSD17B13 in complex with cofactor and inhibitor

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	2019-10-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 21 21 2
Unit cell lengths	77.030, 186.460, 65.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.160 - 2.222
R-factor	0.2095
Rwork	0.209
R-free	0.22770
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	8g84
RMSD bond length	0.007
RMSD bond angle	0.910
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	BUSTER
Refinement software	BUSTER (2.11.8 (8-JUN-2022))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.190	2.470
High resolution limit [Å]	2.230	2.230
Rpim	0.039	0.570
Number of reflections	32599	1631
<I/σ(I)>	14.2
Completeness [%]	92.9
Redundancy	6.6
CC(1/2)	0.999	0.790

Crystallization Conditions

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