1JD0
CRYSTAL STRUCTURE OF THE EXTRACELLULAR DOMAIN OF HUMAN CARBONIC ANHYDRASE XII COMPLEXED WITH ACETAZOLAMIDE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-02-12 |
Detector | CUSTOM-MADE |
Wavelength(s) | 1.0332 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 146.875, 45.080, 85.232 |
Unit cell angles | 90.00, 93.98, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.500 |
R-factor | 0.19 |
Rwork | 0.190 |
R-free | 0.20700 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.005 |
RMSD bond angle | 1.400 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.550 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.053 | 0.318 |
Total number of observations | 636087 * | |
Number of reflections | 89743 * | |
<I/σ(I)> | 15.7 | 2.2 |
Completeness [%] | 99.3 | 95.4 |
Redundancy | 7.1 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 4 * | PEG 8000, sodium acetate, pH 4.8, VAPOR DIFFUSION, HANGING DROP at 277K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 7 (mg/ml) | |
2 | 1 | drop | Tris sulfate | 10 (mM) | |
3 | 1 | reservoir | PEG8000 | 3-5 (%(w/v)) | |
4 | 1 | reservoir | sodium acetate | 0.1 (M) |