3R5K
A designed redox-controlled caspase-7
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-06 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 89.850, 89.850, 185.910 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.000 - 2.860 |
| R-factor | 0.1912 |
| Rwork | 0.188 |
| R-free | 0.25128 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1f1j |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.197 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.480 | 3.020 |
| High resolution limit [Å] | 2.860 | 2.860 |
| Number of reflections | 20464 | |
| <I/σ(I)> | 16 | |
| Completeness [%] | 99.2 | 99.9 |
| Redundancy | 5.2 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 2.1M Formate, 100mM Citrate, 1.25mM Cystamine, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
