2FOS
Human Carbonic Anhydrase II complexed with two-prong inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-04-20 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9124 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.444, 41.640, 72.278 |
| Unit cell angles | 90.00, 104.24, 90.00 |
Refinement procedure
| Resolution | 80.000 - 1.100 |
| R-factor | 0.1272 |
| Rwork | 0.128 |
| R-free | 0.15260 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2cba |
| RMSD bond length | 0.014 |
| RMSD bond angle | 0.031 |
| 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] | 90.000 | 1.140 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Number of reflections | 98072 | |
| <I/σ(I)> | 14.6 | 3.23 |
| Completeness [%] | 99.3 | 99.2 |
| Redundancy | 4 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.7 | 277 | NH4(SO4)2, Tris-sulfate, methylmercuric acetate, pH 7.7, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
