8OMH
Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl (BS1982)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-12-04 |
| Detector | DECTRIS PILATUS 300K |
| Wavelength(s) | 1.54187 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.240, 41.370, 71.800 |
| Unit cell angles | 90.00, 104.41, 90.00 |
Refinement procedure
| Resolution | 31.960 - 1.450 |
| R-factor | 0.15831 |
| Rwork | 0.157 |
| R-free | 0.17923 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6yzx |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.490 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.490 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.030 | 0.212 |
| Number of reflections | 39046 | 1272 |
| <I/σ(I)> | 25.5 | 3.3 |
| Completeness [%] | 91.2 | 40.8 |
| Redundancy | 3.8 | 1.2 |
| CC(1/2) | 1.000 | 0.920 |
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 |
