2TSR
THYMIDYLATE SYNTHASE FROM RAT IN TERNARY COMPLEX WITH DUMP AND TOMUDEX
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR571 |
| Temperature [K] | 278 |
| Detector technology | DIFFRACTOMETER |
| Collection date | 1998-01 |
| Detector | ENRAF-NONIUS FAST |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 99.700, 101.600, 140.800 |
| Unit cell angles | 90.00, 101.40, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.600 |
| R-factor | 0.16 * |
| Rwork | 0.162 |
| R-free | 0.22000 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 * |
| RMSD bond angle | 1.400 * |
| Data reduction software | MADNES |
| Data scaling software | CCP4 ((AGROVATA) |
| Phasing software | X-PLOR (3.851) |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 8.000 | 2.660 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.056 | 0.214 * |
| Number of reflections | 35484 | |
| <I/σ(I)> | 10.3 | 2.6 |
| Completeness [%] | 85.0 | 71 |
| Redundancy | 1.8 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6 | drop contained 1:1 mixture of protein and reservoir solution * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 32 (mg/ml) | |
| 2 | 1 | drop | dithiothreitol | 5 (mM) | |
| 3 | 1 | drop | TES | 20 (mM) | |
| 4 | 1 | drop | dUMP | 6 (mM) | |
| 5 | 1 | drop | Tomudex | 6 (mM) | |
| 6 | 1 | reservoir | mPEG5000 | 20 (%(w/v)) | |
| 7 | 1 | reservoir | ammonium sulfate | 200 (mM) | |
| 8 | 1 | reservoir | dithiothreitol | 5 (mM) | |
| 9 | 1 | reservoir | MES | 100 (mM) |
