7ES2

a mutant of glycosyktransferase in complex with UDP and Reb D

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	2020-06-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978
Spacegroup name	P 21 21 21
Unit cell lengths	54.444, 83.496, 110.645
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.215 - 2.340
Rwork	0.196
R-free	0.24300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	apo form of this protein
RMSD bond length	0.003
RMSD bond angle	1.277
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]	36.880	36.890	2.380
High resolution limit [Å]	2.340	6.340	2.340
Rmerge	0.060	0.027	0.220
Number of reflections	21963	1220	1102
<I/σ(I)>	15.8
Completeness [%]	100.0	100
Redundancy	6	5.2
CC(1/2)	0.977	0.945	0.983

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% PEG 4000 and 0.1 M HEPES pH6.5