3EYL
Crystal structure of XIAP BIR3 domain in complex with a Smac-mimetic compound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-18 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.013 |
| Spacegroup name | I 41 3 2 |
| Unit cell lengths | 170.423, 170.423, 170.423 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.110 - 3.000 |
| R-factor | 0.19111 |
| Rwork | 0.189 |
| R-free | 0.23877 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3clx |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.066 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 3.160 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.092 | 0.667 |
| Number of reflections | 8740 | |
| <I/σ(I)> | 20.9 | 3.7 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 11.6 | 12 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 293 | Mg formate, pH 5.5, VAPOR DIFFUSION, temperature 293K |
