23ON
Crystal Structure Analysis of Bovine Carbonic Anhydrase II to 4-2-methyl-1,3-oxazol-5-ylbenzenesulfonamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2022-11-02 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.54184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.773, 80.163, 61.771 |
| Unit cell angles | 90.00, 106.94, 90.00 |
Refinement procedure
| Resolution | 24.350 - 1.500 |
| R-factor | 0.1575 |
| Rwork | 0.155 |
| R-free | 0.19990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.888 |
| 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] | 24.350 | 1.554 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.146 | 0.500 |
| Number of reflections | 89053 | 89053 |
| <I/σ(I)> | 12.93 | |
| Completeness [%] | 99.9 | |
| Redundancy | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 2M ammonium sulfate, 0.1M Tris-base Buffer |
