3UCJ
Coccomyxa beta-carbonic anhydrase in complex with acetazolamide
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 | 74.563, 74.563, 220.386 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.910 - 1.850 |
| R-factor | 0.18206 |
| Rwork | 0.180 |
| R-free | 0.21841 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ekj |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.217 |
| 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] | 20.000 | 1.900 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Number of reflections | 55540 | |
| Completeness [%] | 99.0 | 98.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 291 | 1.6-2.3 M sodium/potassium phosphate, 10 uM acetazolamide, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
