8W59
Crystal structure of the RING domain of human XIAP treated with arsenic trioxide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-09-06 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.663, 49.080, 39.720 |
| Unit cell angles | 90.00, 97.60, 90.00 |
Refinement procedure
| Resolution | 30.711 - 1.339 |
| R-factor | 0.2147 |
| Rwork | 0.214 |
| R-free | 0.23360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.859 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (v1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.210 | 42.210 |
| High resolution limit [Å] | 1.339 | 1.339 |
| Rmerge | 0.200 | 0.323 |
| Number of reflections | 28779 | 1041 |
| <I/σ(I)> | 0.217 | |
| Completeness [%] | 94.0 | |
| Redundancy | 8.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 32% PEG 3350, 25% glycerol, 1 mM TCEP, 100mM Tri-HCl, pH 7.4, 3 mM arsenic trioxide |
