4XSD
Complex structure of thymidylate synthase from varicella zoster virus with a dUMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-07-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 32 |
| Unit cell lengths | 150.170, 150.170, 89.160 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.836 - 2.900 |
| R-factor | 0.2418 |
| Rwork | 0.240 |
| R-free | 0.28030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xse |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.882 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.069 | 0.380 |
| Number of reflections | 49612 | |
| <I/σ(I)> | 19.8 | 3.9 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 5.5 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Tris pH 8, 40% PEG 300 |
