3AEP
Reaction intermediate structure of Entamoeba histolytica methionine gamma-lyase 1 containing alpha-amino-alpha, beta-butenoic acid-pyridoxal-5'-phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-05-22 |
| Detector | Bruker DIP-6040 |
| Wavelength(s) | 0.900 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 99.215, 85.359, 114.649 |
| Unit cell angles | 90.00, 101.99, 90.00 |
Refinement procedure
| Resolution | 39.890 - 2.280 |
| R-factor | 0.158 |
| Rwork | 0.156 |
| R-free | 0.19800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3acz |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.535 |
| 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 | 2.360 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmerge | 0.092 | 0.394 |
| Number of reflections | 85091 | |
| <I/σ(I)> | 9.529 | 1.953 |
| 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 |
