2W3Q
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 | IMAGE PLATE |
| Detector | MARRESEARCH |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 55.190, 55.190, 134.590 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.800 - 1.340 |
| R-factor | 0.138 |
| R-free | 0.18460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t75 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.030 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.800 | 1.430 |
| High resolution limit [Å] | 1.340 | 1.340 |
| Rmerge | 0.130 | 0.350 |
| Number of reflections | 54533 | |
| <I/σ(I)> | 15.43 | 3.01 |
| Completeness [%] | 99.8 | 98.8 |
| Redundancy | 1 | 0.99 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 20 % PEG3350, 0.2 M NACL, 0.1 M TRIS_HCL PH 8.6 |
