2RD8
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-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-04-15 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97243 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 120.741, 120.741, 129.771 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.800 - 2.500 |
| Rwork | 0.228 |
| R-free | 0.27100 |
| Starting model (for MR) | 1hvy |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.330 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.800 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.138 | 0.465 |
| Number of reflections | 30034 | |
| <I/σ(I)> | 7.8 | 7.8 |
| Completeness [%] | 69.6 | 15.3 |
| Redundancy | 4.7 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 277 | 10-20% PEG 4000, 3mM potassium phosphate, 20mM 2-mercaptoethanol, 0.1M TRIS, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
