2NN3
structure of pro-sf-caspase-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-03-28 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 65 |
| Unit cell lengths | 106.223, 106.223, 113.595 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.340 - 3.000 |
| R-factor | 0.23015 |
| Rwork | 0.228 |
| R-free | 0.27460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1m72 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.684 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.340 | 3.050 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.058 | 0.425 |
| Number of reflections | 14311 | |
| <I/σ(I)> | 18.8 | 2.7 |
| Completeness [%] | 97.6 | 100 |
| Redundancy | 3.4 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 10% PEG 400, 80 mM MgCl2, 100 mM MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
