5BY6
Crystal structure of Trichinella spiralis thymidylate synthase complexed with dUMP
Replaces: 4G9UExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-19 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 1 |
| Unit cell lengths | 51.695, 65.914, 96.511 |
| Unit cell angles | 85.31, 85.33, 67.12 |
Refinement procedure
| Resolution | 19.960 - 1.900 |
| R-factor | 0.1674 |
| Rwork | 0.165 |
| R-free | 0.22010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ez8 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.815 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 5.130 | 1.900 |
| Rmerge | 0.128 | 0.071 | 0.644 |
| Total number of observations | 446073 | ||
| Number of reflections | 89350 | ||
| <I/σ(I)> | 6.1 | ||
| Completeness [%] | 98.0 | 99.5 | 96.5 |
| Redundancy | 5 | 4.9 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | Tris-HCl, PEG 4K, Magnesium Chloride |
