2EU2
Human Carbonic Anhydrase II in complex with novel inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.965, 42.057, 72.412 |
| Unit cell angles | 90.00, 104.03, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.150 |
| R-factor | 0.136 |
| Rwork | 0.136 |
| R-free | 0.16600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tbt |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.315 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.190 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Number of reflections | 87379 | |
| <I/σ(I)> | 26.4 | 4.7 |
| Completeness [%] | 97.9 | 89.3 |
| Redundancy | 7 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 2.6 M Ammonium sulfate 50 mM Tris-Cl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
