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 |