5K20
Caspase-7 S239E Phosphomimetic
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-02 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 88.757, 88.757, 185.141 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 76.980 - 2.200 |
| R-factor | 0.1948 |
| Rwork | 0.191 |
| R-free | 0.22790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ibf |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.769 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALA |
| Phasing software | PHASER (2.5.6) |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.980 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 43569 | |
| <I/σ(I)> | 37.4 | 1.8 |
| Completeness [%] | 99.5 | 99.8 |
| Redundancy | 10.9 | 11 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 2.1 M Sodium Formate 100 mM Sodium Citrate |
