2W3N
Structure and inhibition of the CO2-sensing carbonic anhydrase Can2 from the pathogenic fungus Cryptococcus neoformans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 177.980, 56.590, 83.220 |
| Unit cell angles | 90.00, 116.58, 90.00 |
Refinement procedure
| Resolution | 79.560 - 2.050 |
| R-factor | 0.18878 |
| Rwork | 0.187 |
| R-free | 0.23086 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t75 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.500 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.800 | 2.150 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.130 | 0.491 |
| Number of reflections | 46398 | |
| <I/σ(I)> | 3.01 | |
| Completeness [%] | 98.5 | 97.1 |
| Redundancy | 1 | 1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 24% PEG3350, 0.2 M AMMONIUM ACETATE, 0.01 M MAGNESIUM ACETATE, 0.05M SODIUM CACODYLATE PH 6.6 |
