1NW9
STRUCTURE OF CASPASE-9 IN AN INHIBITORY COMPLEX WITH XIAP-BIR3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE A1 |
Synchrotron site | CHESS |
Beamline | A1 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2002-11-28 |
Detector | FUJI |
Wavelength(s) | 1.1 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 104.400, 104.400, 170.300 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 2.400 |
R-factor | 0.23 |
Rwork | 0.230 |
R-free | 0.23500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 2.090 |
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 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.071 * | 0.525 * |
Total number of observations | 415375 * | |
Number of reflections | 23136 | |
Completeness [%] | 99.7 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | Tris, potassium phosphate, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | Tris | 100 (mM) | pH8.0 |
2 | 1 | reservoir | potassium monohydrogen phosphate | 1.0 (M) | |
3 | 1 | reservoir | 0.2 (M) |