3V6M
Inhibition of caspase-6 activity by single mutation outside the active site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-09-07 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 81.146, 162.630, 89.150 |
| Unit cell angles | 90.00, 95.01, 90.00 |
Refinement procedure
| Resolution | 19.991 - 2.692 |
| R-factor | 0.2169 |
| Rwork | 0.215 |
| R-free | 0.25920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nr2 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.385 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.750 |
| High resolution limit [Å] | 2.692 | 2.692 |
| Number of reflections | 59504 | |
| Completeness [%] | 93.7 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 20mM HEPES, 2.0M sodium chloride, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K |
