5FCT
Mouse thymidylate synthase in ternary complex with FdUMP and methylenetetrahydrofolate.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | Agilent SuperNova |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-04-30 |
| Detector | AGILENT ATLAS CCD |
| Wavelength(s) | 1.5406 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.224, 83.302, 68.850 |
| Unit cell angles | 90.00, 105.43, 90.00 |
Refinement procedure
| Resolution | 26.140 - 1.550 |
| R-factor | 0.11972 |
| Rwork | 0.117 |
| R-free | 0.16614 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ez8 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.415 |
| Data reduction software | CrysalisPro |
| Data scaling software | CrysalisPro |
| Phasing software | CrysalisPro |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.140 | 1.630 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.068 | 0.517 |
| Number of reflections | 85416 | |
| <I/σ(I)> | 14 | 2.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.9 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 280 | MES, PEG 8K, MgAcetate |
