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) |