9VSM

Crystal structure of cystathionine gamma-synthase from Lactobacillus plantarum complexed with the cystathionine-bound external aldimine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	C 1 2 1
Unit cell lengths	155.987, 110.656, 107.388
Unit cell angles	90.00, 111.99, 90.00

Refinement procedure

Resolution	46.790 - 1.580
R-factor	0.1518
Rwork	0.151
R-free	0.17070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.868
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.360	1.610
High resolution limit [Å]	1.580	1.580
Rmerge	0.098	0.455
Rmeas	0.106	0.491
Rpim	0.040	0.182
Total number of observations	1630623	82272
Number of reflections	230342	11380
<I/σ(I)>	13	5.1
Completeness [%]	99.9
Redundancy	7.1	7.2
CC(1/2)	0.995	0.941

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	298	PEG 4000