4J45
Crystal structure of XIAP-BIR2 domain with ATAA bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-10-21 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 74.504, 74.504, 108.799 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.840 - 1.480 |
| R-factor | 0.17425 |
| Rwork | 0.172 |
| R-free | 0.21590 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4j3y |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.689 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.000 | 1.560 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Rmerge | 0.047 | 0.479 |
| Number of reflections | 25875 | |
| <I/σ(I)> | 26.1 | 5.2 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 12.7 | 13.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 292 | 1.7-1.9 M ammonium sulfate, 125 mM bis-tris propane, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 292K |
