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 |