8OKJ
Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor AKI_12
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-07-18 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.45187 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.667, 41.046, 71.546 |
| Unit cell angles | 90.00, 103.73, 90.00 |
Refinement procedure
| Resolution | 26.540 - 1.400 |
| R-factor | 0.1639 |
| Rwork | 0.163 |
| R-free | 0.18470 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.637 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.520 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.060 | 0.395 |
| Rmeas | 0.067 | 0.481 |
| Rpim | 0.030 | 0.270 |
| Total number of observations | 193387 | 6703 |
| Number of reflections | 46311 | 2249 |
| <I/σ(I)> | 13.5 | 2.8 |
| Completeness [%] | 99.6 | |
| Redundancy | 4.2 | 3 |
| CC(1/2) | 0.998 | 0.786 |
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 |
