3M1W
Carbonic Anhyrdase II mutant W5CH64C with closed disulfide bond in complex with sulfate
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 | 2008-06-20 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.37848 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.300, 41.500, 72.200 |
| Unit cell angles | 90.00, 104.40, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.380 |
| R-factor | 0.131 |
| Rwork | 0.129 |
| R-free | 0.17500 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | in house CAII wild type structure |
| RMSD bond length | 0.012 |
| RMSD bond angle | 0.031 |
| 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 | 1.400 |
| High resolution limit [Å] | 1.380 | 1.380 |
| Number of reflections | 48728 | |
| <I/σ(I)> | 25.6 | 5.2 |
| Completeness [%] | 97.2 | 75.8 |
| Redundancy | 2.7 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 291 | 2.75 M ammonium sulfate 50 mM Tris 1mM CuSO4 (soaking), pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
