4KAP
The Binding of Benzoarylsulfonamide Ligands to Human Carbonic Anhydrase is Insensitive to Formal Fluorination of the Ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-25 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.100 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.527, 41.578, 72.593 |
| Unit cell angles | 90.00, 104.62, 90.00 |
Refinement procedure
| Resolution | 35.780 - 1.450 |
| R-factor | 0.19266 |
| Rwork | 0.191 |
| R-free | 0.22186 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.130 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 35.780 |
| High resolution limit [Å] | 1.450 |
| Number of reflections | 35946 |
| Completeness [%] | 87.0 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 277 | 100 MM TRIS-CL, 1.15 M SODIUM CITRATE, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
