6JQE
The structural basis of the beta-carbonic anhydrases CafD (wild type) of the filamentous fungus Aspergillus fumigatus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 11C |
| Synchrotron site | PAL/PLS |
| Beamline | 11C |
| Temperature [K] | 77 |
| Detector technology | PIXEL |
| Collection date | 2018-10-24 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 84.240, 57.298, 73.147 |
| Unit cell angles | 90.00, 112.13, 90.00 |
Refinement procedure
| Resolution | 46.230 - 1.900 |
| R-factor | 0.20769 |
| Rwork | 0.205 |
| R-free | 0.25249 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6JOR |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.513 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rpim | 0.077 | 0.455 |
| Number of reflections | 22753 | 2375 |
| <I/σ(I)> | 18.7 | |
| Completeness [%] | 94.0 | |
| Redundancy | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 24-28% PEG3350, 200 mM MgCl2 and 100 mM HEPES pH 7.0-7.5 |
