4KJU
Crystal structure of XIAP-Bir2 with a bound benzodiazepinone inhibitor.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-03-30 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.99987 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 75.667, 75.667, 109.105 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.200 - 1.600 |
| R-factor | 0.18119 |
| Rwork | 0.180 |
| R-free | 0.21334 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4j3y |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.876 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | CCP4 |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.200 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.423 | |
| Number of reflections | 21271 | |
| <I/σ(I)> | 22.9 | 5.7 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 12.4 | 13 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 292 | 1.5 M ammonium sulfate, 125 mM Bis-tris-propane , pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 292K |
