1FWM
Crystal structure of the thymidylate synthase R166Q mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR571 |
| Temperature [K] | 298 |
| Detector technology | DIFFRACTOMETER |
| Collection date | 1997-10-13 |
| Detector | ENRAF-NONIUS FAST |
| Spacegroup name | P 63 |
| Unit cell lengths | 127.060, 127.060, 67.670 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 17.950 - 2.200 |
| R-factor | 0.18 |
| Rwork | 0.180 |
| R-free | 0.22500 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.700 |
| Data reduction software | ROTAVATA |
| Data scaling software | CCP4 ((AGROVATA) |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.137 | 2.260 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.090 | 0.380 |
| Number of reflections | 31445 | |
| <I/σ(I)> | 6.7 | |
| Completeness [%] | 99.2 | 98.5 |
| Redundancy | 3.1 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | Ammonium sulfate, potassium sulfate, EDTA, DTT, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
