6SW5

Crystal structure of the human S-adenosylmethionine synthetase 1 (ligand-free form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-29
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	218.684, 61.000, 119.762
Unit cell angles	90.00, 90.55, 90.00

Refinement procedure

Resolution	58.760 - 2.350
R-factor	0.1908
Rwork	0.188
R-free	0.23870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2obv
RMSD bond length	0.010
RMSD bond angle	1.426
Data reduction software	xia2
Data scaling software	Aimless (0.5.32)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.760	2.410
High resolution limit [Å]	2.350	2.350
Rmerge	0.127	0.580
Rmeas	0.150	0.686
Rpim	0.080	0.365
Number of reflections	66266	4425
<I/σ(I)>	6.4	1.9
Completeness [%]	100.0	99.9
Redundancy	3.4	3.4
CC(1/2)	0.991	0.762

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