3HKQ
Human carbonic anhydrase II in complex with 1-S-D-Galactopyranosylsulfonamide
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 | 42.480, 41.700, 72.540 |
Unit cell angles | 90.00, 104.48, 90.00 |
Refinement procedure
Resolution | 23.900 - 1.700 |
R-factor | 0.2 |
Rwork | 0.200 |
R-free | 0.22100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 1.300 |
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 | 1.810 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.062 | 0.558 |
Number of reflections | 27295 | |
Completeness [%] | 99.8 | 100 |
Redundancy | 7.5 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 289 | 2.6M (NH4)2SO4, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |