4HO5
Crystal structure of glucose 1-phosphate thymidylyltransferase from Aneurinibacillus thermoaerophilus complexed with TDP-glucose
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 | 114.302, 90.560, 87.519 |
| Unit cell angles | 90.00, 124.96, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.700 |
| R-factor | 0.1935 |
| Rwork | 0.192 |
| R-free | 0.22340 |
| Structure solution method | PDB entry 1H5R |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.455 |
| 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 | 1.760 |
| High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
| Rmerge | 0.049 | 0.039 | 0.294 |
| Number of reflections | 79524 | ||
| <I/σ(I)> | 21.3 | ||
| Completeness [%] | 99.4 | 95.3 | 99.9 |
| Redundancy | 4.9 | 4.6 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 293 | 0.1M sodium cacodylate, 2.0M lithium sulfate, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
