7USP
Crystal Structure of Caspase-3 with Peptide Inhibitor AcITV(Orn)D-CHO
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 193 |
| Detector technology | PIXEL |
| Collection date | 2022-03-27 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.117, 66.133, 83.044 |
| Unit cell angles | 90.00, 90.88, 90.00 |
Refinement procedure
| Resolution | 43.200 - 2.850 |
| R-factor | 0.1816 |
| Rwork | 0.178 |
| R-free | 0.25390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7rnf |
| Data reduction software | autoPROC |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.200 | 2.952 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmerge | 0.036 | 0.132 |
| Rmeas | 0.051 | 0.186 |
| Rpim | 0.036 | 0.132 |
| Number of reflections | 12015 | 1080 |
| <I/σ(I)> | 13.18 | 4.52 |
| Completeness [%] | 93.4 | 83.58 |
| Redundancy | 1.9 | 1.7 |
| CC(1/2) | 0.997 | 0.964 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 14% PEG6000, 5% Glycerol, 100 mM sodium citrate (pH 6.5), 10 mM DTT |
