2RDA
Human Thymidylate Synthase Stabilized in Active Conformation by R163K Mutation: Asymmetry and Reactivity of Cys195
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-02-24 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 123.794, 123.794, 284.766 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 107.210 - 2.670 |
| R-factor | 0.21215 |
| Rwork | 0.209 |
| R-free | 0.27947 |
| Starting model (for MR) | 1hvy |
| RMSD bond length | 0.038 |
| RMSD bond angle | 3.060 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.770 |
| High resolution limit [Å] | 2.670 | 2.670 |
| Rmerge | 0.207 | 0.647 |
| Number of reflections | 72672 | |
| <I/σ(I)> | 15.5 | 15.5 |
| Completeness [%] | 97.1 | 94.9 |
| Redundancy | 7.1 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 277 | 10-20% PEG 4K, 3mM KPi, 20mM BME, 0.1M tris, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
