3AEN

Reaction intermediate structure of Entamoeba histolytica methionine gamma-lyase 1 containing Michaelis complex and alpha-amino-alpha, beta-butenoic acid-pyridoxal-5'-phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-05-20
Detector	ADSC QUANTUM 270
Wavelength(s)	1.00000
Spacegroup name	P 1 21 1
Unit cell lengths	99.156, 85.428, 114.746
Unit cell angles	90.00, 101.90, 90.00

Refinement procedure

Resolution	46.920 - 2.000
R-factor	0.168
Rwork	0.166
R-free	0.19800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3acz
RMSD bond length	0.015
RMSD bond angle	1.483
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.000	2.100
Rmerge	0.087	0.368
Number of reflections	123826
<I/σ(I)>	14.13	2.621
Completeness [%]	99.4	95.8
Redundancy	3.7	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.6	277	1.8M (NH4)2SO4, 0.1M cacodylate buffer, 0.1M Li3(C3H5O(COO)3), 0.1mM pyridozxal 5'-phosphate, pH 6.6, vapor diffusion, sitting drop, temperature 277K