8OMB
Carbonic Anhydrase 2 in Complex with Steriod_Sulphamoyl VK42
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-12-22 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54187 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.190, 41.400, 71.890 |
| Unit cell angles | 90.00, 104.37, 90.00 |
Refinement procedure
| Resolution | 31.960 - 1.350 |
| R-factor | 0.15682 |
| Rwork | 0.156 |
| R-free | 0.17503 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6yzx |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.648 |
| 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 | 1.390 |
| High resolution limit [Å] | 1.350 | 6.040 | 1.350 |
| Rmerge | 0.021 | 0.017 | 0.144 |
| Rmeas | 0.024 | 0.019 | 0.201 |
| Number of reflections | 46755 | 618 | 952 |
| <I/σ(I)> | 30.5 | ||
| Completeness [%] | 88.1 | ||
| Redundancy | 3.1 | ||
| CC(1/2) | 1.000 | 1.000 | 0.960 |
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 |
