1F9E
CASPASE-8 SPECIFICITY PROBED AT SUBSITE S4: CRYSTAL STRUCTURE OF THE CASPASE-8-Z-DEVD-CHO
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-11-17 |
| Detector | MARRESEARCH |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 98.029, 188.748, 209.802 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.940 - 2.900 |
| R-factor | 0.241 * |
| Rwork | 0.241 |
| R-free | 0.28900 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.600 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.970 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.085 | 0.537 |
| Total number of observations | 213414 * | |
| Number of reflections | 42872 | 2839 * |
| <I/σ(I)> | 18.6 | |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 5 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 4 * | 1-propanol, sodium citrate, MES , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 4.0K, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 4 (mg/ml) | |
| 2 | 1 | reservoir | 1-propanol | 30 (%(w/v)) | |
| 3 | 1 | reservoir | sodium citrate | 200 (mM) | |
| 4 | 1 | reservoir | MES-NaOH | 100 (mM) |
