6S0C

Crystal structure of methionine gamma-lyase from Citrobacter freundii modified by dimethylthiosulfinate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-07-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918409
Spacegroup name	I 2 2 2
Unit cell lengths	56.784, 123.255, 128.328
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.411 - 1.460
R-factor	0.1384
Rwork	0.137
R-free	0.17240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2rfv
RMSD bond length	0.005
RMSD bond angle	0.879
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.550
High resolution limit [Å]	1.460	1.460
Rmeas	0.054	0.701
Number of reflections	76641	120129
<I/σ(I)>	20.48	2.22
Completeness [%]	97.8	70.5
Redundancy	4.45	4.1
CC(1/2)	1.000	0.750

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	50 mM Tris-HCl, pH 8.5, 0.5 mM PLP