7TRM
Crystal structure of human BIRC2 BIR3 domain in complex with inhibitor LCL-161
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-07-26 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 104.710, 104.710, 27.132 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.130 - 2.400 |
| R-factor | 0.1791 |
| Rwork | 0.174 |
| R-free | 0.22520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3d9t |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.843 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18_3855) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rpim | 0.038 | 0.130 |
| Number of reflections | 6853 | 337 |
| <I/σ(I)> | 21 | |
| Completeness [%] | 99.8 | |
| Redundancy | 13.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277.15 | 0.1 M Bis-Tris Propane, 0.2 M Sodium Citrate, and 20% PEG3350 |
