4JJ7
Caspase-3 specific unnatural amino acid-based 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 | 2013-01-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.03317 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 62.844, 62.844, 129.352 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 23.365 - 1.178 |
R-factor | 0.1363 |
Rwork | 0.135 |
R-free | 0.15670 |
RMSD bond length | 0.017 |
RMSD bond angle | 1.734 |
Data reduction software | DENZO |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 23.370 |
High resolution limit [Å] | 1.178 |
Rmerge | 0.087 |
<I/σ(I)> | 25.6 |
Completeness [%] | 96.6 |
Redundancy | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | 1 M Sodium citrate, 0.1M HEPES pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 295K |