8OLA
Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor VK4
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-12-17 |
| Detector | DECTRIS PILATUS 300K |
| Wavelength(s) | 1.45187 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.820, 41.110, 72.200 |
| Unit cell angles | 90.00, 103.80, 90.00 |
Refinement procedure
| Resolution | 40.610 - 1.400 |
| R-factor | 0.14753 |
| Rwork | 0.146 |
| R-free | 0.17014 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6yzx |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.681 |
| 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 | 1.440 |
| High resolution limit [Å] | 1.400 | 6.260 | 1.400 |
| Rmerge | 0.027 | 0.016 | 0.259 |
| Rmeas | 0.032 | 0.017 | 0.350 |
| Number of reflections | 40088 | 570 | 1425 |
| <I/σ(I)> | 23.88 | ||
| Completeness [%] | 85.0 | ||
| Redundancy | 3.2 | ||
| CC(1/2) | 0.999 | 1.000 | 0.854 |
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 |
