1F2W
THE MECHANISM OF CYANAMIDE HYDRATION CATALYZED BY CARBONIC ANHYDRASE II REVEALED BY CRYOGENIC X-RAY DIFFRACTION
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | MACSCIENCE M12X |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-01-07 |
| Detector | BRUKER SMART 1000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.158, 41.742, 72.307 |
| Unit cell angles | 90.00, 104.42, 90.00 |
Refinement procedure
| Resolution | 18.000 - 1.900 |
| R-factor | 0.165 |
| Rwork | 0.166 |
| R-free | 0.21800 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 0.034 |
| Data reduction software | SAINT |
| Data scaling software | SAINT |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.000 | 2.050 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.057 | 0.099 |
| Total number of observations | 37672 * | |
| Number of reflections | 17716 | |
| <I/σ(I)> | 8.6 | |
| Completeness [%] | 95.0 | 88.5 * |
| Redundancy | 2.1 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.7 | 4 * | ammonium sulphate, 4-(hydroxymercury)benzoate, TRIS HCL , pH 7.7, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 50 (mM) | |
| 3 | 1 | reservoir | ammonium sulfate | 2.3-2.4 (M) | |
| 4 | 1 | reservoir | Tris-HCl | 50 (mM) | |
| 5 | 1 | reservoir | 4-(hydroxymercury)benzoate | 2 (mM) |
