3CYU
Human Carbonic Anhydrase II complexed with Cryptophane biosensor and xenon
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F2 |
| Synchrotron site | CHESS |
| Beamline | F2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-11 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | .9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 67.441, 49.985, 81.038 |
| Unit cell angles | 90.00, 107.13, 90.00 |
Refinement procedure
| Resolution | 38.720 - 1.700 |
| R-factor | 0.226 |
| Rwork | 0.226 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lg6 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.800 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.720 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.078 | 0.496 |
| Number of reflections | 27728 | |
| <I/σ(I)> | 27.1 | 2.3 |
| Completeness [%] | 97.0 | 90.3 |
| Redundancy | 3.9 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 27-32% PEG 3350, 0.05M Tris-sulfate, 3.5mM 2-mercaptoethanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
