4EC4
XIAP-BIR3 in complex with a potent divalent Smac mimetic
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 | 2011-11-28 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.93340 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.420, 130.490, 215.730 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.412 - 3.300 |
| R-factor | 0.21313 |
| Rwork | 0.210 |
| R-free | 0.27632 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3clx |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.283 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.412 | |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmerge | 0.258 | 0.508 |
| Number of reflections | 28624 | |
| <I/σ(I)> | 5 | 2.6 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.5 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 30% PEG400, 0.2 M sodium citrate, 0.1 M Tris, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
