2FOQ
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 | 42.346, 41.359, 72.170 |
| Unit cell angles | 90.00, 104.34, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.250 |
| R-factor | 0.1641 |
| Rwork | 0.165 |
| R-free | 0.21280 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2cba |
| RMSD bond length | 0.012 |
| RMSD bond angle | 0.028 |
| 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] | 50.000 | 1.290 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Number of reflections | 64009 | |
| <I/σ(I)> | 12.5 | 2.1 |
| Completeness [%] | 95.0 | 87.9 |
| Redundancy | 2.5 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.7 | 277 | 2.5 M (NH4)2SO4, 50 mM Tris-SO4 pH 7.7, 50 mM Tris-SO4 pH 8.0, 1mM methylmercuric acetate, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
