7LL3

S-adenosylmethionine synthetase co-crystallized with UppNHp

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	2019-08-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 61 2 2
Unit cell lengths	123.655, 123.655, 289.409
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.980 - 2.240
R-factor	0.2126
Rwork	0.211
R-free	0.23410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1p7l
RMSD bond length	0.004
RMSD bond angle	0.588
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.980	2.300
High resolution limit [Å]	2.240	2.240
Number of reflections	63722	4401
<I/σ(I)>	19.6
Completeness [%]	100.0
Redundancy	32.8
CC(1/2)	1.000	0.385

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292.15	8% PEG 8000, 0.1 M Bis-Tris pH 6.5, 20% ethylene glycol