1GSI
CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH THYMIDINE MONOPHOSPHATE (TMP)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID09 |
| Synchrotron site | ESRF |
| Beamline | ID09 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-09-18 |
| Detector | MARRESEARCH |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 76.225, 76.225, 134.264 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.190 - 1.600 |
| R-factor | 0.193 |
| Rwork | 0.193 |
| R-free | 0.21000 |
| Structure solution method | OTHER |
| RMSD bond length | 0.004 |
| RMSD bond angle | 20.900 * |
| Data reduction software | DENZO |
| Data scaling software | SCALA |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.200 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.076 * | 0.282 * |
| Total number of observations | 252502 * | |
| Number of reflections | 30736 | |
| <I/σ(I)> | 20.2 | 4.3 |
| Completeness [%] | 99.1 | 98.5 * |
| Redundancy | 8.2 | 5.4 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.4 * | 293 * | Li de La Sierra, I., (2000) Acta Crystallogr.,Sect., D56, 226. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 0.270-0.392 (mM) | |
| 10 | 1 | reservoir | magnesium acetate | 25 (mM) | |
| 2 | 1 | drop | dTMP | 2 (mM) | |
| 3 | 1 | drop | dithiothreitol | 1 (mM) | |
| 4 | 1 | drop | EDTA | 2 (mM) | |
| 5 | 1 | drop | Tris-HCl | 15 (mM) | pH7.4 |
| 6 | 1 | reservoir | ammonium sulfate | 35 (%) | |
| 7 | 1 | reservoir | PEG2000 | 2 (%) | |
| 8 | 1 | reservoir | MES | 0.1 (M) | pH6.0 |
| 9 | 1 | reservoir | beta-mercaptoethanol | 2 (mM) |
