8JZI

Mutant S-adenosylmethionine synthase from C. glutamicum

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	2023-04-29
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	C 1 2 1
Unit cell lengths	150.404, 125.436, 116.310
Unit cell angles	90.00, 128.91, 90.00

Refinement procedure

Resolution	31.550 - 1.760
R-factor	0.18393
Rwork	0.182
R-free	0.21780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tde
RMSD bond length	0.011
RMSD bond angle	1.684
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	1.790
High resolution limit [Å]	1.760	4.780	1.760
Rmerge	0.226	0.216	0.345
Rmeas	0.265	0.256	0.414
Rpim	0.137	0.136	0.225
Total number of observations	605841
Number of reflections	164669	8212	7832
<I/σ(I)>	12.1
Completeness [%]	99.4	97.3	94.9
Redundancy	3.7	3.4	3.1
CC(1/2)	0.814	0.807	0.812

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	PEG 20000, MES pH 6.5