23OM
Crystal Structure Analysis of Bovine Carbonic Anhydrase II to 5-(2-morpholin-4-ylcarbonyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2022-11-03 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.54184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.089, 81.043, 61.144 |
| Unit cell angles | 90.00, 105.82, 90.00 |
Refinement procedure
| Resolution | 24.550 - 1.700 |
| R-factor | 0.192 |
| Rwork | 0.189 |
| R-free | 0.25040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.928 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.550 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.069 | 0.557 |
| Rmeas | 0.788 | |
| Number of reflections | 59650 | 5210 |
| <I/σ(I)> | 9.2 | 1.4 |
| Completeness [%] | 97.8 | 86.5 |
| Redundancy | 1.9 | 1.7 |
| CC(1/2) | 0.994 | 0.568 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 2M ammonium sulfate, 0.1M Tris base Buffer |
