1I33
LEISHMANIA MEXICANA GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE IN COMPLEX WITH INHIBITORS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-04-16 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 80.521, 393.565, 70.421 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 3.000 |
| R-factor | 0.211 |
| Rwork | 0.211 |
| R-free | 0.26700 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 3.100 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.068 | 0.200 |
| Total number of observations | 179302 * | |
| Number of reflections | 44685 | |
| <I/σ(I)> | 23.1 | |
| Completeness [%] | 96.4 | 89.6 |
| Redundancy | 4.01 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.25 | 298 | PEG1000, 100mM TEA, 250 mM NaCl, 5mM DTT, 1mM PMSF, 15mM HEPES, pH 7.25, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 22 (mM) | |
| 2 | 1 | drop | dithiothreitol | 5 (mM) | |
| 3 | 1 | reservoir | PEG1000 | 28 (%(w/v)) | |
| 4 | 1 | reservoir | TEA | 100 (mM) | pH7.25 |
