1I51
CRYSTAL STRUCTURE OF CASPASE-7 COMPLEXED WITH XIAP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-01-27 |
| Wavelength(s) | 0.93 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 89.600, 89.600, 185.500 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.450 |
| R-factor | 0.233 * |
| Rwork | 0.233 |
| R-free | 0.27200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cp3 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.328 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 2.540 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.069 | 0.458 |
| Total number of observations | 114661 * | |
| Number of reflections | 30767 | |
| <I/σ(I)> | 16 | |
| Completeness [%] | 96.1 * | 98 * |
| Redundancy | 3.8 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | used macroseeding * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5 (mg/ml) | |
| 2 | 1 | reservoir | Tris | 25 (mM) | pH8.0 |
| 3 | 1 | reservoir | ammonium sulfate | 0.5 (M) | |
| 4 | 1 | reservoir | PEG4000 | 15 (%) | |
| 5 | 1 | reservoir | dithiothreitol | 10 (mM) |
