3ED7
Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular Stability
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Detector technology | CCD |
| Collection date | 2006-04-15 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 95.546, 95.546, 80.923 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.560 |
| R-factor | 0.21017 |
| Rwork | 0.209 |
| R-free | 0.23344 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.592 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.620 |
| High resolution limit [Å] | 1.560 | 1.560 |
| Rmerge | 0.062 | 0.936 |
| Number of reflections | 53034 | |
| <I/σ(I)> | 61.212 | |
| Completeness [%] | 86.8 | 54.4 |
| Redundancy | 11.2 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 0.1M Tris, 35-40%ammonium sulfate, 20mM BME, , pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
