3PD0
Caspase-3 E246A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-08-20 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 1.0 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 67.613, 83.778, 96.228 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.510 - 2.000 |
| Rwork | 0.176 |
| R-free | 0.20370 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.287 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.000 |
| Number of reflections | 18710 |
| Completeness [%] | 98.6 |
| Redundancy | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | Inhibitor, Ac-DEVD-CMK, reconstituted in DMSO, was added at a 5:1 inhibitor:protein ratio (w/w). Final buffer consisted of 10 mM Tris-HCl, 10 mM DTT, 3 mM NaN3, VAPOR DIFFUSION, HANGING DROP, pH 8.5, temperature 291K |
