7COJ
Crystal structure of the b-carbonic anhydrase CafA of the fungal pathogen 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] | 80 |
| Detector technology | CCD |
| Collection date | 2019-03-09 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 66.921, 87.953, 144.717 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.480 - 2.000 |
| R-factor | 0.1631 |
| Rwork | 0.161 |
| R-free | 0.20460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4o1k |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.688 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
| Rmerge | 0.079 | 0.054 | 0.306 |
| Rmeas | 0.085 | 0.059 | 0.330 |
| Rpim | 0.032 | 0.023 | 0.123 |
| Total number of observations | 417852 | ||
| Number of reflections | 58640 | 6117 | 5764 |
| <I/σ(I)> | 12.8 | ||
| Completeness [%] | 99.9 | 98.6 | 100 |
| Redundancy | 7.1 | 6.5 | 7.2 |
| CC(1/2) | 0.997 | 0.975 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.1 M MES (or Tris-HCl) pH 6.0-7.5 24-30% (w/v) PEG2000MME 0.2-0.4 M sodium acetate |
