1P9L
Structure of M. tuberculosis dihydrodipicolinate reductase in complex with NADH and 2,6 PDC
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | AREA DETECTOR |
| Collection date | 1996-09-12 |
| Detector | SIEMENS |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 119.290, 117.280, 78.540 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.300 |
| R-factor | 0.197 |
| Rwork | 0.193 |
| R-free | 0.25000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1arz |
| RMSD bond length | 0.011 |
| RMSD bond angle | 26.900 * |
| Data reduction software | SAINT |
| Data scaling software | SAINT |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.843) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.400 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.078 * | 0.206 * |
| Total number of observations | 77959 * | |
| Number of reflections | 24502 | 2353 * |
| <I/σ(I)> | 13.6 | 3.3 |
| Completeness [%] | 98.5 | 95.1 |
| Redundancy | 3.2 | 2.1 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | ammonium Sulfate, PEG 400, Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 20 (mg/ml) | |
| 2 | 1 | drop | NADH | 2 (mM) | |
| 3 | 1 | drop | 2,6-PDC | 30 (mM) | |
| 4 | 1 | reservoir | ammonium sulfate | 2.2 (M) | |
| 5 | 1 | reservoir | HEPES | 0.1 (M) | pH7.5 |
| 6 | 1 | reservoir | PEG400 | 3 (%) |
