7P83

Crystal structure of Apo form 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	75.381, 75.381, 280.435
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.777 - 2.218
R-factor	0.2047
Rwork	0.203
R-free	0.24310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7p82
RMSD bond length	0.003
RMSD bond angle	0.676
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]	47.780	2.350
High resolution limit [Å]	2.218	2.220
Rmeas	0.134	0.986
Number of reflections	46906	7371
<I/σ(I)>	16.62
Completeness [%]	99.8	99
Redundancy	15.79
CC(1/2)	0.999	0.883

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