9RJ1

S-methylcysteine synthase (BSAS4) from common bean in complex with PLP, BEZ, and GOL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.0332
Spacegroup name	P 41 21 2
Unit cell lengths	69.185, 69.185, 186.433
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.320 - 1.600
R-factor	0.1418
Rwork	0.141
R-free	0.16830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.920
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.000	1.700
High resolution limit [Å]	1.500	1.600
Rmerge	0.068	1.560
Rmeas	0.070
Number of reflections	60777	9636
<I/σ(I)>	20.97	1.65
Completeness [%]	99.9	99.5
Redundancy	14.16	13.69
CC(1/2)	1.000	0.736

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	291	0.2 M MgCl2 x 6H2O, 0.1 M TRIS, 25% v/v PEG SMEAR HIGH, 20% Glycerol v/v