1RTS
THYMIDYLATE SYNTHASE FROM RAT IN TERNARY COMPLEX WITH DUMP AND TOMUDEX
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 103 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-09 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 159.600, 88.500, 68.800 |
| Unit cell angles | 90.00, 97.80, 90.00 |
Refinement procedure
| Resolution | 15.000 - 3.300 |
| R-factor | 0.19 * |
| Rwork | 0.189 |
| R-free | 0.23000 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 * |
| RMSD bond angle | 24.600 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR (3.851) |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 3.420 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmerge | 0.080 | 0.014 |
| Number of reflections | 14261 | |
| <I/σ(I)> | 18 | 11.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.58 | 5.58 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.4 * | 4 * | pH 8.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 35 (mg/ml) | |
| 2 | 1 | drop | TES | 50 (mM) | |
| 3 | 1 | drop | dithiothreitol | 5 (mM) | |
| 4 | 1 | drop | Tomudex | 2.3 (mM) | |
| 5 | 1 | reservoir | PEG4000 | 21 (%(w/v)) | |
| 6 | 1 | reservoir | Tris-HCl | 0.1 (M) | |
| 7 | 1 | reservoir | magnesium chloride | 0.2 (M) |
