3UCM
Coccomyxa beta-carbonic anhydrase in complex with thiocyanate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-11-06 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9311 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 76.835, 76.835, 222.139 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.046 - 2.513 |
| R-factor | 0.19495 |
| Rwork | 0.189 |
| R-free | 0.24981 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ucj |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.874 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.046 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 21341 | |
| Completeness [%] | 92.3 | 98.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 291 | 1.6-2.3 M sodium/potassium phosphate, 15 mM thiocyanate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
