8QE0

Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 12

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	2019-05-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97628
Spacegroup name	I 2 2 2
Unit cell lengths	68.179, 93.984, 116.409
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.130 - 1.120
R-factor	0.1709
Rwork	0.170
R-free	0.18670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.000
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	AMoRE
Refinement software	BUSTER (2.11.8 (24-FEB-2021))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.130	1.227
High resolution limit [Å]	1.120	1.125
Rmerge	0.052	0.497
Rmeas	0.057	0.639
Rpim	0.023	0.395
Total number of observations		10449
Number of reflections	95962	4797
<I/σ(I)>	14	1.6
Completeness [%]	68.0
Redundancy	5.8	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	293	8-12 % PEG 8000, 8-12 % ethylene glycol, 0.1 M Hepes pH 8.0