3HB8
Structures of Thymidylate Synthase R163K with Substrates and Inhibitors Show Subunit Asymmetry
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 | 2006-11-19 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 196.459, 122.149, 99.157 |
| Unit cell angles | 90.00, 114.55, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.740 |
| Rwork | 0.210 |
| R-free | 0.26100 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.262 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.840 |
| High resolution limit [Å] | 2.740 | 2.740 |
| Rmerge | 0.069 | 0.268 |
| Number of reflections | 52210 | |
| <I/σ(I)> | 28.126 | |
| Completeness [%] | 96.7 | 82.6 |
| Redundancy | 3 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 277 | 10-20% PEG 4000, 20mM BME, 3mM potassium phosphate, 0.1M TRIS, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
