1QDU
CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-8 WITH THE TRIPEPTIDE KETONE INHIBITOR ZEVD-DCBMK
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM1A |
| Synchrotron site | ESRF |
| Beamline | BM1A |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-10-02 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 93.900, 206.530, 102.050 |
| Unit cell angles | 90.00, 102.30, 90.00 |
Refinement procedure
| Resolution | 100.000 - 2.800 |
| Rwork | 0.230 |
| R-free | 0.30200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | HOMOLOGY MODEL |
| RMSD bond length | 0.010 |
| RMSD bond angle | 26.800 * |
| Data reduction software | XDS |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.850 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.084 | 0.469 |
| Number of reflections | 44902 | 2041 * |
| <I/σ(I)> | 17.1 | 2.1 |
| Completeness [%] | 96.3 | 84.7 |
| Redundancy | 3.4 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 6.3 | 4 * | drop consists of equal volume of protein and reservoir solutions * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 2-4 (mg/ml) | |
| 2 | 1 | reservoir | ammonium phosphate | 300 (mM) | |
| 3 | 1 | reservoir | isopropanol | 27 (%(w/v)) | |
| 4 | 1 | reservoir | sodium phosphate | 100 (mM) |
