2FOU
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 | 42.557, 41.704, 72.710 |
| Unit cell angles | 90.00, 104.38, 90.00 |
Refinement procedure
| Resolution | 60.000 - 0.990 |
| R-factor | 0.1233 |
| Rwork | 0.123 |
| R-free | 0.13490 |
| Structure solution method | AB INITIO |
| Starting model (for MR) | 2cba |
| RMSD bond length | 0.013 |
| RMSD bond angle | 0.026 |
| 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] | 60.000 | 1.030 |
| High resolution limit [Å] | 0.990 | 0.990 |
| Rmerge | 0.093 | 0.479 |
| Number of reflections | 127404 | |
| <I/σ(I)> | 14.5 | 2 |
| Completeness [%] | 93.0 | 53.9 |
| Redundancy | 3.6 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.7 | 277 | 2.5 M (NH4)2SO4, Tris-SO4, methylmercuric acetate, pH 7.7, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
