6JQD
The structural basis of the beta-carbonic anhydrase CafC (L25G and L78G mutant) of the filamentous fungus Aspergillus fumigatus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
| Synchrotron site | PAL/PLS |
| Beamline | 7A (6B, 6C1) |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2018-11-21 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.373, 79.725, 48.580 |
| Unit cell angles | 90.00, 115.85, 90.00 |
Refinement procedure
| Resolution | 27.550 - 1.690 |
| R-factor | 0.1559 |
| Rwork | 0.154 |
| R-free | 0.18780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6jqc |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.829 |
| 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 | 1.760 |
| High resolution limit [Å] | 1.690 | 1.700 |
| Rpim | 0.032 | 0.115 |
| Number of reflections | 30506 | 3217 |
| <I/σ(I)> | 42.7 | |
| Completeness [%] | 99.8 | |
| Redundancy | 4.9 | |
| CC(1/2) | 0.994 | 0.958 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 1-11% PEG2000 and 100 mM sodium acetate pH 4.5-5.5 |
