1N5J
CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH THYMIDINE DIPHOSPHATE (TDP) AND THYMIDINE TRIPHOSPHATE (TTP) AT PH 5.4 (1.85 A RESOLUTION)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-05-15 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.90 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 76.248, 76.248, 135.114 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.960 - 1.850 |
| R-factor | 0.215 |
| Rwork | 0.215 |
| R-free | 0.22600 |
| Structure solution method | OTHER |
| Starting model (for MR) | 1gsi |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.100 |
| Data reduction software | DENZO |
| Data scaling software | SCALA |
| Phasing software | CNS (1.0) |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.960 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Number of reflections | 19063 | |
| <I/σ(I)> | 6 | 2.3 |
| Completeness [%] | 94.1 | 94.1 |
| Redundancy | 4.7 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.4 | 293 | Soaking in 30mM ATP, 40% PEG 2000, 10 mM ammonium sulphate, 0.1 M MES pH 5.4, 25 mM magnesium acetate, 2 mM mercaptoethanol, 3 mM EDTA, 1.5 mM DTT, VAPOR DIFFUSION, HANGING DROP + SOAKING |
