3L14
Human Carbonic Anhydrase II complexed with Althiazide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE A1 |
Synchrotron site | CHESS |
Beamline | A1 |
Detector technology | CCD |
Collection date | 2009-10-15 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9780 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.158, 41.396, 72.391 |
Unit cell angles | 90.00, 104.37, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.220 |
Rwork | 0.130 |
R-free | 0.17330 |
Structure solution method | AB INITIO |
Starting model (for MR) | NONE |
RMSD bond length | 0.012 |
RMSD bond angle | 0.029 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELX |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.240 |
High resolution limit [Å] | 1.220 | 1.220 |
Number of reflections | 65974 | |
Completeness [%] | 92.3 | |
Redundancy | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 298 | 50 mM Tris-HCl, 1.3 M Sodium Citrate, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |