4KUV
Crystal structure of human carbonic anhydrase II in complex with the 5-(3-(4-chlorophenylsulfonyl)ureido)pyridine-2-sulfonamide inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-03-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.980 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.323, 41.359, 72.194 |
| Unit cell angles | 90.00, 104.30, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.350 |
| R-factor | 0.1505 |
| Rwork | 0.149 |
| R-free | 0.17010 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3p58 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.507 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 71.382 | 1.270 | |
| High resolution limit [Å] | 1.190 | 3.570 | 1.190 |
| Rmerge | 0.059 | 0.038 | 0.507 |
| Number of reflections | 55094 | 2985 | 1685 |
| <I/σ(I)> | 20.42 | 41.71 | 2.26 |
| Completeness [%] | 71.4 | 98.9 | 13.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 296 | 1.5 M sodium citrate, Tris 50 mM, pH 8.0, VAPOR DIFFUSION, temperature 296K |
