3G76
Crystal structure of XIAP-BIR3 in complex with a bivalent compound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-12-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 31 |
| Unit cell lengths | 119.077, 119.077, 105.590 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.000 - 3.000 |
| R-factor | 0.235 |
| Rwork | 0.231 |
| R-free | 0.31100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | BIR3 DOMAIN FROM PDB ENTRY 3CLX |
| RMSD bond length | 0.011 |
| RMSD bond angle | 2.042 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.101 | 0.640 |
| Number of reflections | 33440 | |
| <I/σ(I)> | 2.2 | |
| Redundancy | 3.6 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4.6 | 293 | 20% PEG MME 2000, 60mM sodium acetate tri-hydrate, 120mM Ammonium sulfate, 400mM sodium-potassium tartrate tetra-hydrate, pH 4.6, VAPOR DIFFUSION, temperature 293K |
