1P7C
Crystal Structure of HSV1-TK complexed with TP5A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 113.219, 117.847, 108.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.900 * - 2.100 |
| R-factor | 0.2436 |
| Rwork | 0.239 |
| R-free | 0.28500 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vtk |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.429 |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| High resolution limit [Å] | 2.100 | |
| Rmerge | 0.072 * | 0.319 * |
| Number of reflections | 41672 | |
| Completeness [%] | 97.9 * | 97.9 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 * | Ammonium sulfate, Tris, TP5A, pH 6.75, VAPOR DIFFUSION, HANGING DROP |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | MES | 0.1 (M) | pH6.5 |
| 10 | 1 | drop | 100 (mM) | ||
| 11 | 1 | drop | glycerol | 5 (%) | |
| 2 | 1 | reservoir | ammonium sulfate | 1.2 (M) | |
| 3 | 1 | reservoir | dioxane | 5 (%) | |
| 4 | 1 | drop | enzyme | 5.5 (mg/ml) | |
| 5 | 1 | drop | TMP | 1.0 (mM) | |
| 6 | 1 | drop | ADP | 2.0 (mM) | |
| 7 | 1 | drop | HEPES | 25 (mM) | pH7.0 |
| 8 | 1 | drop | 5 (mM) | ||
| 9 | 1 | drop | dithiothreitol | 5 (mM) |
