1TLC
THYMIDYLATE SYNTHASE COMPLEXED WITH DGMP AND FOLATE ANALOG 1843U89
Experimental procedure
| Detector technology | DIFFRACTOMETER |
| Collection date | 1993-03-12 |
| Detector | ENRAF-NONIUS FAST |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 63 |
| Unit cell lengths | 127.140, 127.140, 67.860 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 15.000 - 2.100 |
| R-factor | 0.19 * |
| RMSD bond length | 0.022 |
| RMSD bond angle | 0.060 |
| Data reduction software | MADNES |
| Refinement software | GPRLSA |
Data quality characteristics
| Overall | |
| High resolution limit [Å] | 2.100 * |
| Rmerge | 0.086 |
| Total number of observations | 120983 * |
| Number of reflections | 34323 |
| Completeness [%] | 94.0 |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8 * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | TS | 22 (mg/ml) | |
| 2 | 1 | drop | dGMP | 5 (mM) | |
| 3 | 1 | drop | potassium phosphate | 20 (mM) | |
| 4 | 1 | drop | U89 | 0.5 (mM) | |
| 5 | 1 | drop | dithiothreitol | 5 (mM) | |
| 6 | 1 | drop | ammonium sulfate | 56 (%sat) | precipitant |
| 7 | 1 | drop | dithiothreitol | 5 (mM) | precipitant |
| 8 | 1 | reservoir | ammonium sulfate | 56 (%sat) | |
| 9 | 1 | reservoir | dithiothreitol | 5 (mM) |
