9BCM

Crystal structure of the glycosyltransferase UGT95A1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2021-04-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.99988
Spacegroup name	P 2 21 21
Unit cell lengths	62.518, 92.221, 92.643
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.110 - 2.360
R-factor	0.2078
Rwork	0.205
R-free	0.23650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.673
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.110	2.420
High resolution limit [Å]	2.360	2.360
Number of reflections	49224	2108
<I/σ(I)>	4.27
Completeness [%]	99.9
Redundancy	6.1
CC(1/2)	0.974	0.002

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M ammonium acetate, 0.1 M MES pH 5.5 25% polyethylene glycol 3350