4GD7
Wild-Type Human Thymidylate Synthase with bound Purpurogallin
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 | 2011-12-10 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 95.784, 95.784, 81.682 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.290 |
| R-factor | 0.2401 |
| Rwork | 0.238 |
| R-free | 0.27500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2onb |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.330 |
| High resolution limit [Å] | 2.290 | 2.290 |
| Rmerge | 0.038 | 0.178 |
| Number of reflections | 19900 | |
| <I/σ(I)> | 22.9 | |
| Completeness [%] | 99.5 | 97.9 |
| Redundancy | 5.4 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 278 | 100 mM Tris pH 7.5-8.5, 20 mM BME, 25-42% Ammonium Sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 278K |
