4EB9
cIAP1-BIR3 in complex with a divalent Smac mimetic
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-02-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.973 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 79.110, 81.310, 96.880 |
| Unit cell angles | 90.00, 95.67, 90.00 |
Refinement procedure
| Resolution | 48.203 - 2.600 |
| R-factor | 0.26026 |
| Rwork | 0.257 |
| R-free | 0.32202 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mup CHAIN A |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.187 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.203 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.134 | 0.585 |
| Number of reflections | 18610 | |
| <I/σ(I)> | 5.1 | 1.6 |
| Completeness [%] | 98.5 | 99.5 |
| Redundancy | 2.7 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 6% PEG3350, 0.1 M Bis-Tris, pH 5.2, 0.2 M magnesium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
