1G73
CRYSTAL STRUCTURE OF SMAC BOUND TO XIAP-BIR3 DOMAIN
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-07-01 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 48.100, 52.900, 67.100 |
| Unit cell angles | 100.00, 104.10, 94.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.227 |
| Rwork | 0.227 |
| R-free | 0.26800 |
| Structure solution method | MIR |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.395 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.045 | 0.270 |
| Number of reflections | 40346 | |
| <I/σ(I)> | 35 | 5.2 |
| Completeness [%] | 94.8 | 88.5 |
| Redundancy | 4.3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 23 * | 100 mM Citrate, pH5.5 5% PEG4000 10% Isopropanol, VAPOR DIFFUSION, HANGING DROP, temperature 297K |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 23 * | 100 mM Citrate, pH5.5 5% PEG4000 10% Isopropanol, VAPOR DIFFUSION, HANGING DROP, temperature 297K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 15 (mg/ml) | |
| 2 | 1 | reservoir | citrate | 100 (mM) | |
| 3 | 1 | reservoir | PEG4000 | 5 (%) | |
| 4 | 1 | reservoir | isopropanol | 10 (%) |
