6WKB

Human S-adenosylmethionine synthetase co-crystallized with UppNHp and Met

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 63 2 2
Unit cell lengths	144.191, 144.191, 188.196
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.200 - 2.550
R-factor	0.2225
Rwork	0.220
R-free	0.26550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5a1i
RMSD bond length	0.001
RMSD bond angle	0.475
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.200	2.660
High resolution limit [Å]	2.550	2.550
Number of reflections	38275	4574
<I/σ(I)>	18.3	0.9
Completeness [%]	99.9	99.9
Redundancy	39.1
CC(1/2)	0.999	0.645

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	292.15	10% PEG 3350, 0.1 M Bis-Tris pH 6.5, 10% ethylene glycol