4H0U
Crystal structure of thymidylate synthase from Corynebacterium glutamicum in complex with dUMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 76.042, 87.815, 165.747 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.750 |
| R-factor | 0.18934 |
| Rwork | 0.187 |
| R-free | 0.24112 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4h0r |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.344 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.850 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.115 | 0.446 |
| Number of reflections | 27894 | |
| <I/σ(I)> | 5.08 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 8 | 8.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.2M magnesium chloride, 0.1M Tris-HCl, 21% PEG3350, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
