4IY7

crystal structure of cystathionine gamma lyase (XometC) from Xanthomonas oryzae pv. oryzae in complex with E-site serine, A-site external aldimine structure with serine and A-site external aldimine structure with aminoacrylate intermediates

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 4A
Synchrotron site	PAL/PLS
Beamline	4A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-08
Detector	ADSC QUANTUM 210
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	76.219, 86.069, 225.997
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.230 - 1.700
R-factor	0.136
Rwork	0.134
R-free	0.16900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ixz
RMSD bond length	0.030
RMSD bond angle	2.262
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.700
High resolution limit [Å]	1.670	1.670
Number of reflections	171413
Completeness [%]	85.5	99.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	293	25.5% PEG 4000, 0.17M LITHIUM SULFATE, 0.085 TRIS, 15% GLYCEROL, PH 9.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K