3JWA

Crystal structure of L-methionine gamma-lyase from Citrobacter freundii with methionine phosphinate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-09-19
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.843
Spacegroup name	I 2 2 2
Unit cell lengths	56.420, 123.010, 127.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.450
R-factor	0.143
Rwork	0.141
R-free	0.18200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2rfv
RMSD bond length	0.005
RMSD bond angle	1.004
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.4_4))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.490
High resolution limit [Å]	1.450	1.450
Rmerge	0.040	0.283
Number of reflections	77926	5639
<I/σ(I)>	18.93	4.95
Completeness [%]	98.2	98.6
Redundancy	4.2	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	303	5% MMEPEG 2000, 50MM TRIS-HCl, 0.2MM PLP, 0.25% DTT, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 303K