8OKO
Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor AKI_2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-05-04 |
| Detector | DECTRIS PILATUS 300K |
| Wavelength(s) | 1.45187 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.780, 41.140, 72.220 |
| Unit cell angles | 90.00, 103.89, 90.00 |
Refinement procedure
| Resolution | 40.560 - 1.250 |
| R-factor | 0.14047 |
| Rwork | 0.139 |
| R-free | 0.17260 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6yzx |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.619 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.280 |
| High resolution limit [Å] | 1.250 | 5.590 | 1.250 |
| Rmerge | 0.032 | 0.021 | 0.794 |
| Rmeas | 0.037 | 0.023 | 1.024 |
| Number of reflections | 59060 | 794 | 2586 |
| <I/σ(I)> | 14.7 | ||
| Completeness [%] | 89.3 | ||
| Redundancy | 2.8 | ||
| CC(1/2) | 0.999 | 0.999 | 0.484 |
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 |
