8B29
Human carbonic anhydrase II containing 6-fluorotryptophanes.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-07-27 |
| Detector | Bruker PHOTON III |
| Wavelength(s) | 1.541 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.200, 41.220, 71.960 |
| Unit cell angles | 90.00, 104.33, 90.00 |
Refinement procedure
| Resolution | 31.980 - 1.700 |
| R-factor | 0.1647 |
| Rwork | 0.162 |
| R-free | 0.20980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ca2 |
| 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] | 32.000 | 1.761 |
| High resolution limit [Å] | 1.700 | 1.701 |
| Rmerge | 0.123 | 0.750 |
| Number of reflections | 23397 | 2385 |
| <I/σ(I)> | 10.7 | 2 |
| Completeness [%] | 90.1 | |
| Redundancy | 5.7 | |
| CC(1/2) | 0.995 | 0.590 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 2.9 M ammonium sulfate, 0.1 M Tris-HCl |
