3P3H
Human carbonic anhydrase II in complex with p-(5-ferrocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-08 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.957 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.456, 41.574, 72.226 |
| Unit cell angles | 90.00, 104.81, 90.00 |
Refinement procedure
| Resolution | 22.920 - 1.500 |
| R-factor | 0.17721 |
| Rwork | 0.176 |
| R-free | 0.20055 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3hkn |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.251 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.920 | 1.540 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 39283 | |
| Completeness [%] | 99.6 | 98.5 |
| Redundancy | 4 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 289 | 2.6M ammonium sulfate, 0.1M glycine, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
