1IF9
Carbonic Anhydrase II Complexed With N-[2-(1H-Indol-5-yl)-butyl]-4-sulfamoyl-benzamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-02-24 |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.300, 40.800, 72.400 |
| Unit cell angles | 90.00, 104.60, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| Rwork | 0.156 |
| R-free | 0.21600 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2cba |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.800 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 20.000 |
| High resolution limit [Å] | 2.000 |
| Rmerge | 0.135 |
| Number of reflections | 14322 |
| <I/σ(I)> | 6.3 |
| Completeness [%] | 94.4 |
| Redundancy | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | methyl mercuric acetate, tris-sulfate, ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
