6EY2
Crystal structure of XIAP-BIR3 in complex with a cIAP1-selective SM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-09-16 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.939 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.230, 97.060, 182.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 66.500 - 2.700 |
| R-factor | 0.23761 |
| Rwork | 0.235 |
| R-free | 0.28408 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3clx |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.355 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.500 | 2.850 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.043 | 0.718 |
| Rmeas | 0.136 | 0.780 |
| Number of reflections | 28799 | |
| <I/σ(I)> | 8 | |
| Completeness [%] | 100.0 | |
| Redundancy | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7.5 | 293 | 10% PEG 400, 0.2 M MgCl2, 0.1M Hepes-Na |
