8EMU
Human Carbonic Anhydrase II Heterobifunctional Degraders
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2022-02-11 |
| Detector | APEX II CCD |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.174, 41.370, 71.834 |
| Unit cell angles | 90.00, 103.90, 90.00 |
Refinement procedure
| Resolution | 40.940 - 1.130 |
| R-factor | 0.2151 |
| Rwork | 0.215 |
| R-free | 0.23250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4e49 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.134 |
| Data reduction software | APEX |
| Data scaling software | APEX |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.970 | 1.170 |
| High resolution limit [Å] | 1.130 | 1.130 |
| Rmerge | 0.091 | 0.587 |
| Rmeas | 0.713 | |
| Rpim | 0.397 | |
| Number of reflections | 159570 | 7193 |
| <I/σ(I)> | 12 | 2.1 |
| Completeness [%] | 96.0 | |
| Redundancy | 5.8 | |
| CC(1/2) | 0.999 | 0.752 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 2.6-3.0 M Ammonium sulfate in 50 mM Tris-Sulfate (pH 8) |
