4HO4
Crystal structure of glucose 1-phosphate thymidylyltransferase from Aneurinibacillus thermoaerophilus complexed with thymidine and glucose-1-phosphate
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 |
| Collection date | 2012-03-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 114.240, 90.810, 87.754 |
| Unit cell angles | 90.00, 125.05, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.640 |
| R-factor | 0.194 |
| Rwork | 0.193 |
| R-free | 0.22300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h5r |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.566 |
| 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 | 1.700 |
| High resolution limit [Å] | 1.640 | 3.530 | 1.640 |
| Rmerge | 0.040 | 0.028 | 0.329 |
| Number of reflections | 88977 | ||
| <I/σ(I)> | 21.1 | ||
| Completeness [%] | 99.4 | 95.9 | 99.8 |
| Redundancy | 5 | 4.8 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.1M Tris, 1.9M lithium sulfate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
