1DG5
DIHYDROFOLATE REDUCTASE OF MYCOBACTERIUM TUBERCULOSIS COMPLEXED WITH NADPH AND TRIMETHOPRIM
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 | 60.750, 60.750, 59.420 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| R-factor | 0.188 |
| Rwork | 0.188 |
| R-free | 0.24300 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.800 |
| 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 | 2.090 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.036 | 0.112 |
| Number of reflections | 14679 | |
| Completeness [%] | 99.8 | 98.3 |
| Redundancy | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 4.5 | 4 * | AMMONIUM SULFATE, SODIUM ACETATE, GLYCEROL, NADPH, TRIMETHOPRIM, POTASSIUM PHOSPHATE, DTT, POTASSIUM CHLORIDE, pH 4.5, VAPOR DIFFUSION, HANGING DROP, 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 | drop | inhibitor | 1-5 (mM) | |
| 5 | 1 | reservoir | ammonium sulfate | 1.5-2.2 (M) | |
| 6 | 1 | reservoir | 0.1 (M) | ||
| 7 | 1 | reservoir | 0.1 (mM) |
