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 |