5IC4
Crystal structure of caspase-3 DEVE peptide complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2014-09-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.115859 |
| Spacegroup name | F 2 2 2 |
| Unit cell lengths | 133.820, 177.796, 193.430 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.357 - 2.650 |
| R-factor | 0.2086 |
| Rwork | 0.207 |
| R-free | 0.23860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dko |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.696 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.780 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.170 | 0.830 |
| Number of reflections | 33509 | |
| <I/σ(I)> | 8.5 | 2 |
| Completeness [%] | 99.8 | 99.3 |
| Redundancy | 4.2 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 60% (v/v) tacsimate pH 7 |
