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 |