9F5H

Crystal structure of MGAT5 bump-and-hole mutant in complex with UDP and M592

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-09-15
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.72738
Spacegroup name	P 1
Unit cell lengths	46.507, 69.069, 90.993
Unit cell angles	108.21, 92.09, 106.75

Refinement procedure

Resolution	44.100 - 1.970
Rwork	0.200
R-free	0.24180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	2.139
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.100	44.100	2.010
High resolution limit [Å]	1.970	9.230	1.970
Rmerge	0.116	0.019	1.557
Rmeas	0.164	0.027	2.200
Rpim	0.116	0.019	1.554
Number of reflections	68392	690	4432
<I/σ(I)>	6.6
Completeness [%]	94.4
Redundancy	3.8	3.6	3.8
CC(1/2)	0.994	0.998	0.270

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	15-20% PEG3350, 0.1M Tris-HCl pH 8-8.5, 0.3M Li2SO4, 0-10% ethylene glycol, Microseed matrix screening