6LAI
The structural basis of the beta-carbonic anhydrase CafD (E54A 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 | 2019-04-29 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 84.048, 57.629, 73.306 |
| Unit cell angles | 90.00, 111.84, 90.00 |
Refinement procedure
| Resolution | 46.400 - 1.600 |
| R-factor | 0.1846 |
| Rwork | 0.183 |
| R-free | 0.21800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6jqe |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.757 |
| 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 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 40349 | 4253 |
| <I/σ(I)> | 22.5 | |
| Completeness [%] | 98.4 | |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 28 % PEG3350, 200 mM MgCl2, 100 mM Tris-HCl pH 6.0-9.5 |
