2DKO
Extended substrate recognition in caspase-3 revealed by high resolution X-ray structure analysis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-05-29 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.8498 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 67.650, 83.890, 96.160 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.060 |
| R-factor | 0.142 |
| Rwork | 0.142 |
| R-free | 0.17470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cp3 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 0.035 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.150 |
| High resolution limit [Å] | 1.060 | 1.060 |
| Rmerge | 0.055 | 0.366 |
| Number of reflections | 113110 | |
| <I/σ(I)> | 7.9 | 3.06 |
| Completeness [%] | 92.0 | 89 |
| Redundancy | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4.75 | 293 | pH 4.75, VAPOR DIFFUSION, temperature 293K |
