6QXS
Crystal structure of Enteroccocus faecalis thymidylate synthase (EfTS) in complex with FdUMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-02-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.96861 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 72.040, 94.840, 97.000 |
Unit cell angles | 90.00, 94.01, 90.00 |
Refinement procedure
Resolution | 96.760 - 2.880 |
R-factor | 0.20251 |
Rwork | 0.200 |
R-free | 0.25169 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3uwl |
RMSD bond length | 0.007 |
RMSD bond angle | 1.613 |
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] | 96.760 | 3.040 |
High resolution limit [Å] | 2.880 | 2.880 |
Rmerge | 0.154 | 0.362 |
Rmeas | 0.198 | 0.466 |
Rpim | 0.123 | 0.289 |
Number of reflections | 28081 | 4058 |
<I/σ(I)> | 4.2 | 2 |
Completeness [%] | 95.1 | 94.7 |
Redundancy | 2.2 | 2.2 |
CC(1/2) | 0.956 | 0.845 |
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 |