2C2Z
Crystal structure of caspase-8 in complex with aza-peptide Michael acceptor inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-04-21 |
Detector | MARRESEARCH |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 62.520, 62.520, 129.940 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 10.000 - 1.950 |
R-factor | 0.171 |
Rwork | 0.171 |
R-free | 0.18700 |
Structure solution method | OTHER |
RMSD bond length | 0.006 |
RMSD bond angle | 1.300 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.020 |
High resolution limit [Å] | 1.920 | 1.920 |
Rmerge | 0.050 | 0.090 |
Number of reflections | 22937 | |
<I/σ(I)> | 29.61 | 20.38 |
Completeness [%] | 98.9 | 99.6 |
Redundancy | 7.8 | 7.55 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 1.4M SODIUM CITRATE, 100MM HEPES PH 8.0 |