6SW6

Crystal structure R264H mutant of the human S-adenosylmethionine synthetase 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-01-27
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9762
Spacegroup name	C 1 2 1
Unit cell lengths	108.558, 83.619, 87.562
Unit cell angles	90.00, 107.99, 90.00

Refinement procedure

Resolution	51.870 - 2.850
R-factor	0.262
Rwork	0.261
R-free	0.28800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2obv
RMSD bond length	0.007
RMSD bond angle	1.152
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.870	3.000
High resolution limit [Å]	2.850	2.850
Rmerge	0.189	0.942
Rmeas	0.211
Rpim	0.092	0.447
Number of reflections	17484	2499
<I/σ(I)>	5.1	1.5
Completeness [%]	99.3	97.9
Redundancy	5.1	5.2
CC(1/2)	0.974	0.755

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	200 mM NaF, 20 % PEG 3350 and 15 % ethylene glycol