3M5S
Carbonic Anhydrase II mutant H64C in complex with carbonate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2009-02-04 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.400, 41.200, 71.900 |
| Unit cell angles | 90.00, 104.30, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.400 |
| R-factor | 0.137 |
| Rwork | 0.131 |
| R-free | 0.17900 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | in house CAII wild type structure |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.028 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Number of reflections | 46592 | |
| <I/σ(I)> | 15 | 2.9 |
| Completeness [%] | 97.2 | 94.1 |
| Redundancy | 2.4 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 291 | 2.75 M ammoniumsulfate 50 mM Tris , pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
