8Q0C
Human carbonic anhydrase II containing 3-fluorotyrosine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-04-07 |
| Detector | Bruker PHOTON III |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.990, 41.140, 71.210 |
| Unit cell angles | 90.00, 104.20, 90.00 |
Refinement procedure
| Resolution | 23.010 - 1.300 |
| R-factor | 0.1665 |
| Rwork | 0.165 |
| R-free | 0.19740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.282 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.010 | 1.320 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.087 | |
| Number of reflections | 112511 | 4638 |
| <I/σ(I)> | 6.1 | 1.2 |
| Completeness [%] | 99.5 | 90.5 |
| Redundancy | 3.2 | |
| CC(1/2) | 0.990 | 0.400 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 2.9M Ammonium sulfate, 0.1M Tris-HCl |
