6QYA
Crystal structure of Enteroccocus faecalis thymidylate synthase (EfTS) in complex with dUMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-05-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92819 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.160, 95.101, 97.409 |
| Unit cell angles | 90.00, 93.63, 90.00 |
Refinement procedure
| Resolution | 68.070 - 1.760 |
| R-factor | 0.18559 |
| Rwork | 0.184 |
| R-free | 0.22030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3uwl |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.271 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.010 | 1.860 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.109 | 0.353 |
| Rmeas | 0.131 | 0.425 |
| Rpim | 0.072 | 0.233 |
| Number of reflections | 125005 | 18480 |
| <I/σ(I)> | 6.9 | 2.9 |
| Completeness [%] | 95.1 | 96.5 |
| Redundancy | 3.1 | 3.2 |
| CC(1/2) | 0.985 | 0.891 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 2.2-2.5 M ammonium sulfate and 0.1 M HEPES, pH 7.5 |
