4PRZ
Caspase-8 specific unnatural amino acid peptides
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-20 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97939 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 62.145, 62.145, 129.383 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.692 - 2.123 |
| R-factor | 0.1912 |
| Rwork | 0.190 |
| R-free | 0.21800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jj7 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.806 |
| 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] | 2.120 |
| Number of reflections | 16496 |
| Completeness [%] | 100.0 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 295 | 1.0 M sodium citrate, 0.1 M HEPES, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
