4PS0
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 | P 1 21 1 |
Unit cell lengths | 50.198, 69.189, 93.143 |
Unit cell angles | 90.00, 102.01, 90.00 |
Refinement procedure
Resolution | 40.042 - 1.630 |
R-factor | 0.1543 |
Rwork | 0.153 |
R-free | 0.17920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 477E |
RMSD bond length | 0.016 |
RMSD bond angle | 1.553 |
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] | 1.630 |
Number of reflections | 76222 |
Completeness [%] | 98.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 295 | 0.15 M sodium citrate, pH 5.5, 14% PEG 6000, 0.3% sodium azide, 0.01 M DTT, VAPOR DIFFUSION, SITTING DROP, temperature 295K |