3AEM

Reaction intermediate structure of Entamoeba histolytica methionine gamma-lyase 1 containing Michaelis complex and methionine imine-pyridoxamine-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	2009-11-07
Detector	ADSC QUANTUM 270
Wavelength(s)	0.98000
Spacegroup name	P 1 21 1
Unit cell lengths	99.086, 85.332, 114.331
Unit cell angles	90.00, 101.90, 90.00

Refinement procedure

Resolution	48.480 - 2.200
R-factor	0.15323
Rwork	0.151
R-free	0.19556
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3acz
RMSD bond length	0.016
RMSD bond angle	1.537
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	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.088	0.349
Number of reflections	94891
<I/σ(I)>	16.541	3.595
Completeness [%]	99.9	99.4
Redundancy	3.8	3.6

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