4PS1
Caspase-8 specific unnatural amino acid peptides
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-02-03 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.97945 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 115.870, 144.603, 86.193 |
| Unit cell angles | 90.00, 123.86, 90.00 |
Refinement procedure
| Resolution | 44.950 - 1.731 |
| R-factor | 0.1538 |
| Rwork | 0.152 |
| R-free | 0.18460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jj7 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.503 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.730 |
| Number of reflections | 119448 |
| Completeness [%] | 99.0 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 295 | 0.1 M Sodium citrate, pH 5.5, 36% PEG600, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
