3QNW
Caspase-6 in complex with Z-VAD-FMK inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-01-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 87.206, 65.446, 91.718 |
| Unit cell angles | 90.00, 91.24, 90.00 |
Refinement procedure
| Resolution | 29.100 - 2.650 |
| R-factor | 0.24275 |
| Rwork | 0.240 |
| R-free | 0.28713 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wdp |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.815 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.100 | 2.790 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.114 | 0.564 |
| Number of reflections | 30002 | |
| <I/σ(I)> | 14.8 | 3.6 |
| Completeness [%] | 99.2 | 98.8 |
| Redundancy | 7.5 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4.3 | 298 | 0.1 M lithium sulfate, 0.1 M sodium citrate, 11% 2-propanol , VAPOR DIFFUSION, temperature 298K, pH 4.3 |
