6CL1
Caspase-7 in complex with Ac-DW3-KE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-05-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 88.373, 88.373, 186.401 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.238 - 2.651 |
| R-factor | 0.1993 |
| Rwork | 0.197 |
| R-free | 0.24350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.224 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((dev_2747: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.700 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.057 | 0.407 |
| Rmeas | 0.159 | 1.126 |
| Rpim | 0.122 | 0.910 |
| Number of reflections | 25060 | 1232 |
| <I/σ(I)> | 16.7 | 2.5 |
| Completeness [%] | 99.3 | 99.8 |
| Redundancy | 7.6 | 7.5 |
| CC(1/2) | 0.819 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 295 | 1:1 dilution with 0.15 M sodium citrate, 1.6 M sodium formate, pH 5.0 |
