7RXW

Human Methionine Adenosyltransferase 2A bound to Methylthioadenosine and inhibitor imido-diphosphate (PNP)

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	68.322, 94.069, 117.344
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.890 - 1.070
R-factor	0.1284
Rwork	0.128
R-free	0.13820
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]	19.890	19.890	1.070
High resolution limit [Å]	1.050	5.750	1.050
Rmerge	0.054	0.049	0.388
Rmeas	0.057	0.051	0.443
Rpim	0.016	0.015	0.211
Total number of observations	1771533	14498	14828
Number of reflections	160734	1160	3498
<I/σ(I)>	26.2	51.3	4.1
Completeness [%]	91.8	97.5	40.8
Redundancy	11	12.5	4.2
CC(1/2)	0.999	0.997	0.888

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	292	100 mM ammonium citrate and 12% PEG-3350