3HKN
Human carbonic anhydrase II in complex with (2,3,4,6-Tetra-O-acetyl-beta-D-galactopyranosyl) -(1-4)-1,2,3,6-tetra-O-acetyl-1-thio-beta-D-glucopyranosylsulfonamide
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 | 2009-03-11 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9568 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.400, 41.700, 72.500 |
| Unit cell angles | 90.00, 104.50, 90.00 |
Refinement procedure
| Resolution | 23.890 - 1.800 |
| R-factor | 0.198 |
| Rwork | 0.198 |
| R-free | 0.22000 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.400 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.900 | 1.910 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.005 | 0.287 |
| Number of reflections | 22901 | |
| Completeness [%] | 99.5 | 97.6 |
| Redundancy | 7.5 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 289 | 2.6 M (NH4)2SO4, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
