3D92
Human carbonic anhydrase II bound with substrate carbon dioxide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE A1 |
Synchrotron site | CHESS |
Beamline | A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-04-19 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9772 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.700, 41.700, 73.000 |
Unit cell angles | 90.00, 104.60, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.100 |
R-factor | 0.1001 |
Rwork | 0.100 |
R-free | 0.12900 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2cba |
RMSD bond length | 0.015 |
RMSD bond angle | 2.100 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | SHELX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.120 |
High resolution limit [Å] | 1.100 | 1.100 |
Rmerge | 0.088 | 0.519 |
Number of reflections | 98514 | |
Completeness [%] | 99.9 | 100 |
Redundancy | 11.4 | 10.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 300 | 1.3M sodium citrate, 100mM Tris-HCl, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 300K |