3TVL
Complex between the human thiamine triphosphatase and triphosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9797 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.378, 63.529, 70.950 |
| Unit cell angles | 90.00, 108.75, 90.00 |
Refinement procedure
| Resolution | 46.160 - 2.300 |
| R-factor | 0.18429 |
| Rwork | 0.180 |
| R-free | 0.26085 |
| Structure solution method | MIR |
| Starting model (for MR) | 3bhd |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.574 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.200 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.099 | 0.450 |
| Number of reflections | 16547 | |
| <I/σ(I)> | 9 | 2.6 |
| Completeness [%] | 94.8 | 78.2 |
| Redundancy | 3.2 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 293 | O.1 citrate, 0.2 Ammonium sulfate, triphosphate 0.1M, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
