3B5B
Crystal structure of the thymidylate synthase k48q
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR571 |
| Temperature [K] | 298 |
| Detector technology | DIFFRACTOMETER |
| Collection date | 1999-11-22 |
| Detector | ENRAF-NONIUS FAST |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 63 |
| Unit cell lengths | 127.370, 127.370, 67.840 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.550 - 2.700 |
| Rwork | 0.193 |
| R-free | 0.23400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | : 1FFL 1fwm |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.400 |
| Data reduction software | PROCOR |
| Data scaling software | Agrovata |
| Phasing software | X-PLOR |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.520 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 19482 | |
| <I/σ(I)> | 12.3 | 3.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.8 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 20 mM potassium phosphate buffer, 4 mM DTT and increments in ammonium sulfate from 2.05 to 2.6 M, pH 7.5 to 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
