1RWK
Crystal structure of human caspase-1 in complex with 3-(2-mercapto-acetylamino)-4-oxo-pentanoic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 180 |
| Detector technology | IMAGE PLATE |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 62.840, 62.840, 160.865 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.300 |
| R-factor | 0.20669 |
| Rwork | 0.204 |
| R-free | 0.25824 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ice |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.895 |
| Data reduction software | MOSFLM |
| Data scaling software | d*TREK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.19) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.072 | 0.313 |
| Number of reflections | 14913 | |
| Completeness [%] | 99.2 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 274 | 0.1M HEPES, 2M (NH4)2SO4, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 274K |
