1DF7
DIHYDROFOLATE REDUCTASE OF MYCOBACTERIUM TUBERCULOSIS COMPLEXED WITH NADPH AND METHOTREXATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1998-09-17 |
| Detector | SBC-2 |
| Spacegroup name | P 41 |
| Unit cell lengths | 60.510, 60.510, 58.830 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.700 |
| R-factor | 0.187 |
| Rwork | 0.187 |
| R-free | 0.24600 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.690 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHARP |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.780 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.042 | 0.263 |
| Total number of observations | 109952 * | |
| Number of reflections | 23394 * | |
| <I/σ(I)> | 27 | |
| Completeness [%] | 99.7 | 99.7 |
| Redundancy | 4.7 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 4.5 | 4 * | AMMONIUM SULFATE, SODIUM ACETATE, GLYCEROL, NADPH, METHOTREXATE, POTASSIUM PHOSPHATE, DTT, POTASSIUM CHLORIDE, pH 4.5, VAPOR DIFFUSION, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 8 (mg/ml) | |
| 2 | 1 | drop | glycerol | 5 (%) | |
| 3 | 1 | drop | NADPH | 10 (mM) | |
| 4 | 1 | reservoir | ammonium sulfate | 1.5-2.2 (M) | |
| 5 | 1 | reservoir | 0.1 (M) | ||
| 6 | 1 | reservoir | 0.1 (mM) |
