4RUZ
Crystal structure of human Carbonic Anhydrase II in complex with 4-ethoxybenzenesulfonamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F1 |
Synchrotron site | CHESS |
Beamline | F1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-03-06 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9177 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.308, 41.183, 71.897 |
Unit cell angles | 90.00, 104.28, 90.00 |
Refinement procedure
Resolution | 19.950 - 1.630 |
R-factor | 0.1564 |
Rwork | 0.154 |
R-free | 0.19220 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.099 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 20.000 | 1.690 |
High resolution limit [Å] | 1.630 | 3.510 | 1.630 |
Number of reflections | 29579 | ||
Completeness [%] | 97.9 | 95.6 | 97 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 298 | 1.6 M sodium citrate, 50 mM Tris-HCl, 3mM 4-Ethoxybenzenesulfonamide, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |