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 |