7RXX

Human Methionine Adenosyltransferase 2A bound to Methylthioadenosine and two sulfate in the active site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	I 2 2 2
Unit cell lengths	68.224, 94.121, 117.159
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.880 - 1.250
R-factor	0.1297
Rwork	0.129
R-free	0.14050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7l1a
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.19rc5_4047)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.880	19.880	1.270
High resolution limit [Å]	1.250	6.850	1.250
Rmerge	0.094	0.053	0.551
Rmeas	0.098	0.055	0.575
Rpim	0.027	0.015	0.161
Total number of observations	1330026	8591	64412
Number of reflections	103477	681	5069
<I/σ(I)>	18.8	39.3	6.1
Completeness [%]	99.5	95.8	99.7
Redundancy	12.9	12.6	12.7
CC(1/2)	0.998	0.995	0.949

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	292	200 mM potassium sulfate and 20% PEG-3350