1KWQ
HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH INHIBITOR 2000-07
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 277 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-02-15 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54218 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.690, 41.690, 72.640 |
| Unit cell angles | 90.00, 104.78, 90.00 |
Refinement procedure
| Resolution | 10.000 * - 2.400* |
| Rwork | 0.194 |
| R-free | 0.28300 * |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.637 |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 10.000 * |
| High resolution limit [Å] | 2.400 * |
| Rmerge | 0.099 |
| Number of reflections | 8012 |
| <I/σ(I)> | 6.2 |
| Completeness [%] | 81.3 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 6 * | tris, nacl, Ammonium sulfate, MeHgAc, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 279K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 0.3 (mM) | |
| 2 | 1 | drop | Tris-HCl | 20 (mM) | |
| 3 | 1 | drop | 20 (mM) | pH8.0 | |
| 4 | 1 | reservoir | Tris-HCl | 100 (mM) | pH8.5 |
| 5 | 1 | reservoir | 300 (mM) | ||
| 6 | 1 | reservoir | ammonium sulfate | 27 (M) | |
| 7 | 1 | reservoir | 5 (mg) |
