7ES0

a rice glycosyltransferase in complex with UDP and REX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978
Spacegroup name	P 21 21 21
Unit cell lengths	57.561, 83.082, 87.946
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.209 - 1.395
Rwork	0.159
R-free	0.17450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.358
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	57.560	57.610	1.420
High resolution limit [Å]	1.390	3.790	1.390
Rmerge	0.040	0.017	0.303
Number of reflections	58677	4537	185
<I/σ(I)>	22.5
Completeness [%]	69.4	100	4.4
Redundancy	5.8	6	1.3
CC(1/2)	0.998	1.000	0.820

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% PEG 4000 0.1 M HEPES buffer pH 6.5