3D92
Human carbonic anhydrase II bound with substrate carbon dioxide
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 |
| Collection date | 2008-04-19 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9772 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.700, 41.700, 73.000 |
| Unit cell angles | 90.00, 104.60, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.100 |
| R-factor | 0.1001 |
| Rwork | 0.100 |
| R-free | 0.12900 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2cba |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.100 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | SHELX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.120 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.088 | 0.519 |
| Number of reflections | 98514 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 11.4 | 10.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 300 | 1.3M sodium citrate, 100mM Tris-HCl, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 300K |
