3KS3
High resolution structure of Human Carbonic Anhydrase II at 0.9 A
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 | 2009-02-14 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9772 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.354, 41.359, 72.308 |
Unit cell angles | 90.00, 104.42, 90.00 |
Refinement procedure
Resolution | 19.833 - 0.900 |
R-factor | 0.1376 |
Rwork | 0.138 |
R-free | 0.14520 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.392 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELXS |
Refinement software | PHENIX (1.5_2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 0.920 |
High resolution limit [Å] | 0.900 | 0.900 |
Rmerge | 0.078 | |
Number of reflections | 164840 | |
<I/σ(I)> | 25 | |
Completeness [%] | 92.3 | 92.3 |
Redundancy | 6.1 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |