3E4C
Procaspase-1 zymogen domain crystal structure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-10-16 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9779 |
| Spacegroup name | P 1 |
| Unit cell lengths | 56.100, 58.004, 60.120 |
| Unit cell angles | 105.95, 119.60, 92.77 |
Refinement procedure
| Resolution | 20.000 - 2.050 |
| R-factor | 0.204 |
| Rwork | 0.200 |
| R-free | 0.26300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rwx |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.406 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Number of reflections | 37223 | |
| <I/σ(I)> | 11.2 | 1.9 |
| Completeness [%] | 97.0 | 87.4 |
| Redundancy | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7.5 | 277 | 0.2 M MgCl2 20% PEG 3350, pH 7.5, EVAPORATION, temperature 277K |
