3D93
Apo 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 | 42.215, 41.514, 72.346 |
| Unit cell angles | 90.00, 104.15, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.100 |
| R-factor | 0.1041 |
| Rwork | 0.104 |
| R-free | 0.13900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cba |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.100 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | SHELX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 1.120 |
| High resolution limit [Å] | 1.100 | 2.980 | 1.100 |
| Rmerge | 0.080 | 0.055 | 0.506 |
| Number of reflections | 91517 | ||
| Completeness [%] | 93.1 | 85.2 | 89.7 |
| Redundancy | 7 | 6.3 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 300 | 1.3 M Ammonium citrate, 100 mM Tris-HCl, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 300K |
