7KCC

Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AG-270

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	2016-09-30
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97776
Spacegroup name	I 2 2 2
Unit cell lengths	68.148, 94.055, 116.898
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.030 - 1.320
R-factor	0.1167
Rwork	0.115
R-free	0.14050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2p02
RMSD bond length	0.008
RMSD bond angle	1.066
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.030	1.370
High resolution limit [Å]	1.320	1.320
Rmerge	0.116	0.528
Number of reflections	77099	3406
<I/σ(I)>	14.5
Completeness [%]	88.8	41.9
Redundancy	5.5	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	0.2 M LiCl, 0.1 M Tris pH 8.0, (16%-22%) PEG6000, 10% Ethylene Glycol