1RJ6
Crystal Structure of the Extracellular Domain of Murine Carbonic Anhydrase XIV in Complex with Acetazolamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-05-29 |
| Detector | BRANDEIS - B4 |
| Wavelength(s) | 1.10004 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.200, 75.800, 73.800 |
| Unit cell angles | 90.00, 99.20, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.900 |
| R-factor | 0.207 |
| Rwork | 0.207 |
| R-free | 0.25300 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.007 |
| RMSD bond angle | 24.500 * |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.085 * | 0.274 * |
| Number of reflections | 13548 | |
| <I/σ(I)> | 8.3 | 2.5 |
| Completeness [%] | 94.0 | 68.1 |
| Redundancy | 3.2 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 * | 277 | PEG 4000, sodium acetate, sodium chloride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | enzyme | 7 (mg/ml) | |
| 2 | 1 | drop | sodium phosphate | 20 (mM) | pH7.2 |
| 3 | 1 | drop | 150 (mM) | ||
| 4 | 1 | reservoir | PEG4000 | 5.5 (%(w/v)) | |
| 5 | 1 | reservoir | sodium acetate | 0.1 (M) | pH4.8 |
| 6 | 1 | reservoir | 20 (mM) |
