8JZG

C. glutamicum S-adenosylmethionine synthase co-crystallized with Adenosine, triphosphate, and SAM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2022-10-22
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	P 1 21 1
Unit cell lengths	61.311, 116.806, 116.314
Unit cell angles	90.00, 103.31, 90.00

Refinement procedure

Resolution	32.630 - 2.390
R-factor	0.1983
Rwork	0.194
R-free	0.26040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tde
RMSD bond length	0.010
RMSD bond angle	1.700
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.390	6.510	2.400
Rmerge	0.080	0.048	0.359
Rmeas	0.093	0.056	0.432
Rpim	0.048	0.029	0.235
Number of reflections	62235	3162	3083
<I/σ(I)>	11.4
Completeness [%]	99.3	98.3	99.1
Redundancy	3.6	3.7	3.2
CC(1/2)	0.990	0.995	0.781

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	PEG 3350, Sodium phosphate monobasic monohydrate