4ZVU
Caspase-7 wild-type bound to the caspase-6 cognate tetrapeptide inhibitor Ac-VEID-cho
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-03 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.953651 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 88.259, 88.259, 187.023 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.019 - 2.601 |
| R-factor | 0.2068 |
| Rwork | 0.204 |
| R-free | 0.25200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3edr |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (2.5.1) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 2.640 |
| High resolution limit [Å] | 2.600 | 7.050 | 2.600 |
| Rmerge | 0.125 | 0.053 | |
| Total number of observations | 200486 | ||
| Number of reflections | 26676 | ||
| <I/σ(I)> | 8.3 | ||
| Completeness [%] | 99.9 | 98.8 | 100 |
| Redundancy | 7.5 | 6.8 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 277.15 | 300 mM Diammonium Hydrogen Citrate, 14% PEG 3350, 10 mM Guanidinium Chloride, 10 mM Dithiotheritol |
