3AEO
Reaction intermediate structure of Entamoeba histolytica methionine gamma-lyase 1 containing methionine alpha, beta-enamine-pyridoxamine-5'-phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-21 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 99.057, 85.703, 115.135 |
| Unit cell angles | 90.00, 101.39, 90.00 |
Refinement procedure
| Resolution | 39.900 - 2.150 |
| R-factor | 0.155 |
| Rwork | 0.153 |
| R-free | 0.19400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3acz |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.484 |
| 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 | 2.230 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.089 | 0.396 |
| Number of reflections | 102025 | |
| <I/σ(I)> | 13.471 | 3.487 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.6 | 277 | 1.8 M (NH4)2SO4, 0.1 M cacodylate buffer, 0.1 M Li3(C3H5O(COO)3), 0.1 mM pyridozxal 5'-phosphate, pH 6.6, vapor diffusion, sitting drop, temperature 277K |
