4FXO
Zinc-mediated allosteric inhibiton of caspase-6
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 | 2012-03-19 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.2861 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.696, 90.855, 85.763 |
| Unit cell angles | 90.00, 90.30, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.850 |
| R-factor | 0.21591 |
| Rwork | 0.215 |
| R-free | 0.23290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wdp |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.737 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 2.900 |
| High resolution limit [Å] | 2.850 | 7.720 | 2.850 |
| Number of reflections | 22532 | ||
| Completeness [%] | 99.6 | 1.1 | 61.8 |
| Redundancy | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 298 | 0.1 M Sodium Acetate pH 4.6, 2M NaCl, 3% EtOH, VAPOR DIFFUSION, SITTING DROP, temperature 100K, temperature 298K |
