1BP6
THYMIDYLATE SYNTHASE R23I, R179T DOUBLE MUTANT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 1995-04-15 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 78.500, 78.500, 243.400 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 7.000 - 2.400 |
| R-factor | 0.197 |
| Rwork | 0.197 |
| R-free | 0.25100 * |
| 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 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.093 | 0.510 |
| Number of reflections | 16096 | |
| <I/σ(I)> | 0.096 | 1.85 |
| Completeness [%] | 87.7 | 75.2 |
| Redundancy | 4 | 2.1 |
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) |
