4HO2
Crystal structure of glucose 1-phosphate thymidylyltransferase from Aneurinibacillus thermoaerophilus complexed with thymidine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13C1 |
| Synchrotron site | NSRRC |
| Beamline | BL13C1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2011-10-09 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 91.895, 91.895, 70.134 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.840 |
| R-factor | 0.1954 |
| Rwork | 0.193 |
| R-free | 0.23240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h5r |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.568 |
| 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 | 1.910 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.042 | 0.357 |
| Number of reflections | 26483 | |
| Completeness [%] | 99.5 | 100 |
| Redundancy | 12.7 | 13 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1M sodium cacodylate, 2.0M lithium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
