2ABE
Carbonic anhydrase activators: X-ray crystal structure of the adduct of human isozyme II with L-histidine as a platform for the design of stronger activators
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-05-10 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.700, 41.790, 72.830 |
| Unit cell angles | 90.00, 104.47, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.000 |
| Rwork | 0.182 |
| R-free | 0.21800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.340 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.088 | 0.280 |
| Number of reflections | 15867 | |
| <I/σ(I)> | 22.1 | |
| Completeness [%] | 90.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.7 | 278 | tris.HCl, ammonium sulphate, pH 7.7, VAPOR DIFFUSION, HANGING DROP, temperature 278K |
