6JQC
The structural basis of the beta-carbonic anhydrase CafC (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 | 2018-09-17 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.575, 80.066, 48.791 |
Unit cell angles | 90.00, 115.84, 90.00 |
Refinement procedure
Resolution | 40.070 - 1.800 |
R-factor | 0.2003 |
Rwork | 0.198 |
R-free | 0.24909 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1g5c |
RMSD bond length | 0.009 |
RMSD bond angle | 1.662 |
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 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rpim | 0.069 | 0.311 |
Number of reflections | 24771 | 2463 |
<I/σ(I)> | 17.6 | |
Completeness [%] | 91.5 | |
Redundancy | 2.6 |
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 |