3K7E
Crystal structure of human ligand-free mature caspase-6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 173 |
| Detector technology | CCD |
| Collection date | 2007-02-03 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.394, 90.944, 86.202 |
| Unit cell angles | 90.00, 91.46, 90.00 |
Refinement procedure
| Resolution | 38.938 - 3.000 |
| R-factor | 0.2209 |
| Rwork | 0.218 |
| R-free | 0.25890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cp3 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.097 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.810 | 3.160 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.139 | 0.653 |
| Number of reflections | 20696 | |
| <I/σ(I)> | 7.1 | 2 |
| Completeness [%] | 96.4 | 97.3 |
| Redundancy | 2.8 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 298 | 0.1M Sodium acetate, 2M NaCl, 3% ethanol, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
