1P72
Crystal structure of EHV4-TK complexed with Thy and ADP
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 |
| Wavelength(s) | 0.9 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 112.301, 121.014, 118.808 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 * - 2.100 |
| R-factor | 0.18886 |
| Rwork | 0.184 |
| R-free | 0.23200 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1VTK with unconserved residues modified to alanine |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.343 |
| Data reduction software | DENZO |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| High resolution limit [Å] | 2.000 * | |
| Rmerge | 0.062 * | 0.321 * |
| Number of reflections | 47461 | |
| Completeness [%] | 96.8 * | 96.9 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 * | 298 | Ammonium sulfate, MES, Dioxane , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
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) |
