4PRY
Caspase-8 specific unnatural amino acid peptides
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-10-24 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 0.88560 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 69.041, 84.433, 96.127 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.724 - 1.700 |
| R-factor | 0.1566 |
| Rwork | 0.155 |
| R-free | 0.18680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jje |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.388 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.700 |
| Number of reflections | 30938 |
| Completeness [%] | 100.0 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 295 | 0.1 M Sodium citrate, pH 5.5, 12% PEG6000, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
