4FGT
Allosteric peptidic inhibitor of human thymidylate synthase that stabilizes inactive conformation of the enzyme.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 273 |
| Detector technology | CCD |
| Collection date | 2009-03-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.115869 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 95.807, 95.807, 83.285 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.760 - 2.000 |
| R-factor | 0.20106 |
| Rwork | 0.200 |
| R-free | 0.22906 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.199 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 40.000 |
| High resolution limit [Å] | 2.000 |
| Number of reflections | 29370 |
| Completeness [%] | 6.1 |
| Redundancy | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 296 | 1.4M ammonium sulfate, 20 uM beta-ME and 0.1M Tris pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 296K |
