8OKE
Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor AKI_1
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 | 2021-05-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.870, 41.210, 72.200 |
| Unit cell angles | 90.00, 103.85, 90.00 |
Refinement procedure
| Resolution | 40.650 - 1.050 |
| R-factor | 0.14344 |
| Rwork | 0.143 |
| R-free | 0.17044 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.708 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MLPHARE |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.080 |
| High resolution limit [Å] | 1.050 | 4.700 | 1.050 |
| Rmerge | 0.071 | 0.023 | 2.033 |
| Rmeas | 0.077 | 0.024 | 2.338 |
| Number of reflections | 217683 | 2442 | 15222 |
| <I/σ(I)> | 10.76 | ||
| Completeness [%] | 99.5 | ||
| Redundancy | 6.3 | ||
| CC(1/2) | 0.999 | 1.000 | 0.310 |
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 |
