1I3O
CRYSTAL STRUCTURE OF THE COMPLEX OF XIAP-BIR2 AND CASPASE 3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-12-15 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.08 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.700, 95.500, 144.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 500.000 - 2.700 |
| R-factor | 0.248 * |
| Rwork | 0.248 |
| R-free | 0.27800 |
| Starting model (for MR) | 1PAU and PDB ENTRY 1C9Q |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.303 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 500.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.062 | 0.424 |
| Total number of observations | 174633 * | |
| Number of reflections | 27119 | |
| <I/σ(I)> | 2.3 | |
| Completeness [%] | 99.4 | 99.3 |
| Redundancy | 5 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.6 * | 23 * | sodium formate, sodium acetate, pH 5.2, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | HEPES | 10 (mM) | |
| 2 | 1 | drop | 100 (mM) | ||
| 3 | 1 | drop | dithiothreitol | 2 (mM) | |
| 4 | 1 | drop | protein | 8 (mg/ml) | |
| 5 | 1 | reservoir | sodium acetate | 0.1 (M) | |
| 6 | 1 | reservoir | sodium formate | 1.8 (M) |
