3D93
Apo 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 | 42.215, 41.514, 72.346 |
Unit cell angles | 90.00, 104.15, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.100 |
R-factor | 0.1041 |
Rwork | 0.104 |
R-free | 0.13900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2cba |
RMSD bond length | 0.016 |
RMSD bond angle | 2.100 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | SHELX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 20.000 | 1.120 |
High resolution limit [Å] | 1.100 | 2.980 | 1.100 |
Rmerge | 0.080 | 0.055 | 0.506 |
Number of reflections | 91517 | ||
Completeness [%] | 93.1 | 85.2 | 89.7 |
Redundancy | 7 | 6.3 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 300 | 1.3 M Ammonium citrate, 100 mM Tris-HCl, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 300K |