2VVB
Human carbonic anhydrase II in complex with bicarbonate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.667, 41.653, 72.910 |
Unit cell angles | 90.00, 104.79, 90.00 |
Refinement procedure
Resolution | 70.710 - 1.660 |
R-factor | 0.171 |
Rwork | 0.168 |
R-free | 0.21300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2cba |
RMSD bond length | 0.017 |
RMSD bond angle | 1.587 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.990 | 1.730 |
High resolution limit [Å] | 1.660 | 1.660 |
Rmerge | 0.070 | 0.280 |
Number of reflections | 29567 | |
Completeness [%] | 87.7 | 78.2 |
Redundancy | 2.8 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 2.4 M (NH4)2SO4. 0.1 M TRIS PH 8.5 |