8QDZ

Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 11

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	I 2 2 2
Unit cell lengths	67.827, 94.064, 116.532
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.620 - 1.160
R-factor	0.1741
Rwork	0.173
R-free	0.18620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.990
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]	58.620	1.251
High resolution limit [Å]	1.160	1.160
Rmerge	0.074	1.103
Number of reflections	88119	4405
<I/σ(I)>	11.4	1.6
Completeness [%]	93.2	60.4
Redundancy	6.4	5.4
CC(1/2)	0.999	0.535

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