1BPJ
THYMIDYLATE SYNTHASE R178T, R179T DOUBLE MUTANT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 1995-07-15 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 78.800, 78.800, 243.800 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 7.000 - 2.500 * |
| R-factor | 0.2 * |
| Rwork | 0.190 |
| R-free | 0.26700 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1TDM |
| RMSD bond length | 0.007 * |
| RMSD bond angle | 1.400 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.089 | 0.700 |
| Number of reflections | 15561 | |
| <I/σ(I)> | 12.6 | 1.8 |
| Completeness [%] | 95.5 | 90.1 |
| Redundancy | 3.7 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7 | Finer-Moore, J.S., (1993) J.Mol.Biol., 232, 1101. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | potassium phosphate | 20 (mM) | |
| 3 | 1 | reservoir | potassium phosphate | 20 (mM) | |
| 4 | 1 | reservoir | ammonium sulfate | 20 (mM) | |
| 5 | 1 | reservoir | dUMP | 38 (mM) |
