2P1E
Crystal structure of the Leishmania infantum glyoxalase II with D-Lactate at the active site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-02-17 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 67.172, 89.121, 85.980 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.610 - 1.900 |
| R-factor | 0.183 |
| Rwork | 0.181 |
| R-free | 0.22000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2p18 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.540 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.642 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.087 | 0.488 |
| Total number of observations | 41988 | |
| Number of reflections | 20715 | |
| <I/σ(I)> | 5.1 | 1.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.8 | 14.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 288 | 30% PEG 8K, 0.2M MgCl2, 0.1M ammonium acetate - soaked 30 min in 40% PEG 8K, 0.2M MgCl2, 0.1M ammonium acetate, 10mM S-D-lactoyltrypanothione, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 288K |
