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 |