7P82

Crystal structure of apo form L147A/I351A variant of S-adenosylmethionine synthetase from Methanocaldococcus jannaschii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-03
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9184
Spacegroup name	P 32 2 1
Unit cell lengths	75.641, 75.641, 281.618
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.958 - 2.042
R-factor	0.2053
Rwork	0.204
R-free	0.24980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4l7i
RMSD bond length	0.003
RMSD bond angle	0.677
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.960	2.170
High resolution limit [Å]	2.040	2.040
Rmeas	0.165	0.849
Number of reflections	59592	8708
<I/σ(I)>	10.99	1.92
Completeness [%]	98.3	90.4
Redundancy	16.07	11.77
CC(1/2)	0.997	0.882

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293.15	0.1 M sodium acetate pH 4.6, 40% (v/v) PEG200