3UWL
Crystal structure of Enteroccocus faecalis thymidylate synthase (EfTS) in complex with 5-formyl tetrahydrofolate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-05-08 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.87260 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 71.940, 94.250, 96.190 |
| Unit cell angles | 90.00, 95.01, 90.00 |
Refinement procedure
| Resolution | 33.490 - 2.070 |
| R-factor | 0.16298 |
| Rwork | 0.160 |
| R-free | 0.21670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2tdm |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.493 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.600 | 2.180 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Rmerge | 0.117 | 0.393 |
| Number of reflections | 75045 | |
| <I/σ(I)> | 8.8 | 3.2 |
| Completeness [%] | 96.3 | 95.2 |
| Redundancy | 3.2 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 2.7 M ammonium sulfate, 0.1 M HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
