1TSN
THYMIDYLATE SYNTHASE TERNARY COMPLEX WITH FDUMP AND METHYLENETETRAHYDROFOLATE
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR571 |
| Temperature [K] | 298 |
| Detector technology | DIFFRACTOMETER |
| Collection date | 1996-05 |
| Detector | ENRAF-NONIUS FAST |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 72.100, 72.100, 115.270 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 9.000 - 2.200 |
| Rwork | 0.178 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | TS.FDUMP.CB3717 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 0.050 |
| Data reduction software | MADNES |
| Data scaling software | PROCOR |
| Refinement software | GPRLSA |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 9.000 | 2.290 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.095 * | 0.360 * |
| Total number of observations | 76346 * | |
| Number of reflections | 18104 | |
| <I/σ(I)> | 6.4 | 1.9 |
| Completeness [%] | 98.4 | 98.5 |
| Redundancy | 4.1 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8 | CRYSTALLIZED BY VAPOR DIFFUSION FROM A SOLUTION OF 8MG/ML PROTEIN, 2MM FDUMP, 10MM CH2THF, 20MM PHOSPHATE PH 8.0, 4MM DTT, AND 1.05M AMMONIUM SULFATE; EQUILIBRATED AGAINST A SOLUTION OF 2.10M AMMONIUM SULFATE, 20MM PHOSPHATE PH 8.0, AND 4MM DTT., vapor diffusion |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | E. coli TS | 8 (mg/ml) | |
| 2 | 1 | drop | FdUMP | 2 (mM) | |
| 3 | 1 | drop | (6R,S)-CH2THF | 1 (mM) | |
| 4 | 1 | drop | phosphate | 20 (mM) | |
| 5 | 1 | drop | dithiothreitol | 4 (mM) | |
| 6 | 1 | drop | ammonium sulfate | 1.05 (M) | |
| 7 | 1 | reservoir | phosphate | 20 (mM) | |
| 8 | 1 | reservoir | dithiothreitol | 4 (mM) | |
| 9 | 1 | reservoir | ammonium sulfate | 2.1 (M) |
