8PHL
Human carbonic anhydrase II containing 4-fluorophenylalanine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-02-06 |
| Detector | Bruker PHOTON III |
| Wavelength(s) | 1.541 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.820, 40.900, 70.870 |
| Unit cell angles | 90.00, 104.73, 90.00 |
Refinement procedure
| Resolution | 31.500 - 1.300 |
| R-factor | 0.17872 |
| Rwork | 0.178 |
| R-free | 0.19448 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.622 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.500 | 1.330 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.100 | 0.700 |
| Number of reflections | 57104 | 4105 |
| <I/σ(I)> | 9.7 | 1.8 |
| Completeness [%] | 99.4 | 97.4 |
| Redundancy | 7 | |
| CC(1/2) | 0.990 | 0.640 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 2.9 Ammonium sulfate |
