1B02
CRYSTAL STRUCTURE OF THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-07 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.570, 105.010, 117.260 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 100.000 - 2.500 |
| R-factor | 0.194 * |
| Rwork | 0.194 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tsn |
| RMSD bond length | 0.006 |
| RMSD bond angle | 26.500 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.510 |
| High resolution limit [Å] | 2.500 | 2.470 |
| Rmerge | 0.094 * | 0.349 * |
| Number of reflections | 23792 | |
| Completeness [%] | 96.0 | 79.3 |
| Redundancy | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7 * | pH 6.25 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | B subtlis thymidine synthase | 8.4 (mg/ml) | |
| 2 | 1 | drop | (R,S)-CH2H4-folate | 1 (mM) | |
| 3 | 1 | drop | FdUMP | 3 (mM) | |
| 4 | 1 | drop | phosphate | 20 (mM) | |
| 5 | 1 | drop | dithiothreitol | 1 (mM) | |
| 6 | 1 | reservoir | PEG4000 | 23 (%) | |
| 7 | 1 | reservoir | sodium citrate | 0.1 (M) | |
| 8 | 1 | reservoir | ammonium acetate | 0.2 (M) | |
| 9 | 1 | reservoir | dithiothreitol | 10 (mM) |
