4H0R
Crystal structure of thymidylate synthase from Corynebacterium glutamicum
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 1 21 1 |
| Unit cell lengths | 52.464, 67.220, 78.120 |
| Unit cell angles | 90.00, 91.57, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.300 |
| R-factor | 0.1857 |
| Rwork | 0.183 |
| R-free | 0.23060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2tsc |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.454 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 4.950 | 2.300 |
| Rmerge | 0.079 | 0.037 | 0.426 |
| Number of reflections | 24054 | ||
| <I/σ(I)> | 12.2 | ||
| Completeness [%] | 99.2 | 99.2 | 95.7 |
| Redundancy | 3.6 | 3.5 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.2M magnesium chloride, 0.1M Tris-HCl, 24% PEG3350, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
