3M2Z
Fragment tethered to Carbonic Anhydrase II H64C mutant
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 | 2009-02-05 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.400, 41.500, 72.500 |
| Unit cell angles | 90.00, 104.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.700 |
| R-factor | 0.184 |
| Rwork | 0.167 |
| R-free | 0.22000 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | in house CAII-H64C structure |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.023 |
| 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 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 25733 | |
| <I/σ(I)> | 11.6 | 3.1 |
| Completeness [%] | 94.2 | 92.7 |
| Redundancy | 2.3 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 291 | 2.5 M ammonium sulfate 50 mM Tris 0.5 mM DTT 1 mM fragment, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
