1I32
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 | 80.385, 394.105, 70.963 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.600 |
| R-factor | 0.205 |
| Rwork | 0.205 |
| R-free | 0.25600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.280 |
| 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 | 2.650 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.066 | 0.289 |
| Total number of observations | 407373 * | |
| Number of reflections | 65878 | |
| <I/σ(I)> | 29.3 | |
| Completeness [%] | 94.0 | 71.7 |
| Redundancy | 6.18 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.25 | 298 | PEG1000, 100mM TEA, 250mM 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 | 6 (mg/ml) | |
| 2 | 1 | drop | HEPES | 15 (mM) | |
| 3 | 1 | drop | 250 (mM) | ||
| 4 | 1 | drop | dithiothreitol | 5 (mM) | |
| 5 | 1 | drop | PMSF | 1 (mM) | |
| 6 | 1 | drop | inhibitor solution | 34 (mM) | |
| 7 | 1 | reservoir | PEG1000 | 28 (%(w/v)) | |
| 8 | 1 | reservoir | TEA | 100 (mM) |
