8EXC
Human Carbonic Anhydrase II bound tert-butyl (3-(4-(3-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)propoxy)butoxy)propyl)carbamate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2022-01-10 |
| Detector | APEX II CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.986, 41.222, 71.874 |
| Unit cell angles | 90.00, 104.21, 90.00 |
Refinement procedure
| Resolution | 34.840 - 1.900 |
| R-factor | 0.1816 |
| Rwork | 0.177 |
| R-free | 0.22670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4e49 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.178 |
| 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] | 34.840 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.072 | 0.256 |
| Rmeas | 0.082 | |
| Number of reflections | 35992 | 1798 |
| <I/σ(I)> | 11 | 2.7 |
| Completeness [%] | 99.4 | |
| Redundancy | 3.9 | |
| CC(1/2) | 0.997 | 0.928 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 2.6-3.0 M Ammonium sulfate in 50 mM Tris-Sulfate (pH 8) |
