8OKQ
Carbonic Anhydrase 2 in Complex with Steriod_Sulphamoyl AKI_2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-05-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.250, 41.270, 72.370 |
| Unit cell angles | 90.00, 104.37, 90.00 |
Refinement procedure
| Resolution | 39.920 - 1.000 |
| R-factor | 0.16799 |
| Rwork | 0.168 |
| R-free | 0.17912 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6yzx |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.654 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.030 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Number of reflections | 130194 | 9492 |
| <I/σ(I)> | 15.2 | |
| Completeness [%] | 99.9 | |
| Redundancy | 3.2 | |
| CC(1/2) | 0.980 | 0.650 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 291 | 1.6 M sodium citrate, 50 mM Tris-H2SO4 |
