8JZH

C. glutamicum S-adenosylmethionine synthase

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	2022-03-22
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	C 2 2 2
Unit cell lengths	129.152, 203.886, 144.186
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.480 - 2.200
R-factor	0.18577
Rwork	0.183
R-free	0.22938
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tde
RMSD bond length	0.011
RMSD bond angle	1.670
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	2.240
High resolution limit [Å]	2.200	5.970	2.200
Rmerge	0.077	0.060	0.377
Rmeas	0.084	0.067	0.413
Rpim	0.034	0.029	0.166
Total number of observations	560366
Number of reflections	95546	4887	4736
<I/σ(I)>	13.8
Completeness [%]	99.0	95.8	98.8
Redundancy	5.9	5.5	5.8
CC(1/2)	0.992	0.990	0.948

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	Polyethylene glycol 200, MES NaOH pH 6.0, Polyethylene glycol 3000