2VVA
Human carbonic anhydrase in complex with CO2
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 | 42.589, 41.577, 72.636 |
Unit cell angles | 90.00, 104.84, 90.00 |
Refinement procedure
Resolution | 70.190 - 1.560 |
R-factor | 0.156 |
Rwork | 0.153 |
R-free | 0.20000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2cba |
RMSD bond length | 0.017 |
RMSD bond angle | 1.682 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.900 | 1.640 |
High resolution limit [Å] | 1.560 | 1.560 |
Rmerge | 0.040 | 0.110 |
Number of reflections | 35235 | |
Completeness [%] | 90.5 | 93.7 |
Redundancy | 4.7 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 2.4 M (NH4)2(SO4). 0.1 M TRIS PH = 8.5 |