5V2J

Crystal structure of UDP-glucosyltransferase, UGT74F2 (T15S), with UDP and 2-bromobenzoic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.99187
Spacegroup name	P 21 21 21
Unit cell lengths	65.224, 87.410, 162.826
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.211 - 1.800
R-factor	0.2047
Rwork	0.202
R-free	0.24930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5u6s
RMSD bond length	0.008
RMSD bond angle	0.914
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((dev_2666: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.800
Number of reflections	90391
<I/σ(I)>	19.2
Completeness [%]	99.4
Redundancy	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	22-26 %(w/v) PEG3350, 0.2 M ammonium acetate, 0.1 M MES