8AXZ

Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with S-adenosylmethionine, adenosin and diphosphono-aminophosphonic acid.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-04-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.92
Spacegroup name	I 2 2 2
Unit cell lengths	67.554, 94.387, 117.266
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.630 - 1.154
R-factor	0.1685
Rwork	0.168
R-free	0.18540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2p02
RMSD bond length	0.014
RMSD bond angle	1.370
Data reduction software	autoPROC
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	BUSTER (2.11.8 (8-JUN-2022))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.370	1.140
High resolution limit [Å]	1.100	1.100
Rmerge	0.090	0.090
Number of reflections	176512	1403
<I/σ(I)>	24.5	3.4
Completeness [%]	99.1	99
Redundancy	12.3	9.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.12 M Alcohols (0.2 M 1,6-Hexanediol; 0.2 M 1-Butanol; 0.2 M 1,2-Propanediol; 0.2 M 2-Propanol; 0.2 M 1,4-Butanediol; 0.2 M 1,3-Propanediol), 0.1 M Buffer System 3 pH 8.5 (Tris (base); BICINE), 50 % Precipitant mix 4 (25 % v/v MPD; 25 % PEG 1000; 25 % w/v PEG 3350)