6PDQ
Ancestral Effector Caspase 3/6/7
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-06-14 |
| Detector | MAR CCD 130 mm |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.169, 78.760, 107.744 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.493 - 1.830 |
| R-factor | 0.1935 |
| Rwork | 0.191 |
| R-free | 0.23390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.807 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.15.2_3472: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.493 | 1.890 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Number of reflections | 39730 | 3741 |
| <I/σ(I)> | 8.5 | |
| Completeness [%] | 99.2 | |
| Redundancy | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2 M ammonium acetate, pH 4.6, 0.1 M sodium acetate trihydrate, 30% PEG 4000 |
