4O7U
Etherocomplex of Enteroccocus faecalis thymidylate synthase with 5-hydroxymethilene-6-hydrofolic acid and the phtalimidic inhibitor SS7
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-05 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.936 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 72.082, 94.225, 96.816 |
| Unit cell angles | 90.00, 94.33, 90.00 |
Refinement procedure
| Resolution | 55.670 - 2.400 |
| R-factor | 0.21561 |
| Rwork | 0.212 |
| R-free | 0.28671 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.301 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.430 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.124 | 0.354 |
| Number of reflections | 38554 | |
| <I/σ(I)> | 6.5 | 3.2 |
| Completeness [%] | 76.5 | 75.5 |
| Redundancy | 2.4 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | microbatch under oil | 7 | 297 | 6.5 mg/mL EfTS, 3.2 M ammonium sulfate, 0.1 M HEPES, co-cystallization with 4 mM SS7 in DMSO in 1/10 SS7/EfTS volume ratio, pH 7.0, microbatch under oil, temperature 297K |
