5EOI
Crystal structure of copper bound human Carbonic anhydrase II
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-11-02 |
| Detector | OXFORD ONYX CCD |
| Wavelength(s) | 1.542 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.026, 41.479, 72.067 |
| Unit cell angles | 90.00, 104.61, 90.00 |
Refinement procedure
| Resolution | 14.750 - 1.800 |
| R-factor | 0.15 |
| Rwork | 0.147 |
| R-free | 0.20610 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4fik |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.884 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 14.750 | 1.910 | |
| High resolution limit [Å] | 1.800 | 5.110 | 1.800 |
| Rmerge | 0.076 | 0.039 | 0.478 |
| Rmeas | 0.084 | 0.042 | 0.610 |
| Total number of observations | 123479 | ||
| Number of reflections | 21538 | 1001 | 2771 |
| <I/σ(I)> | 17.12 | 44.48 | 1.92 |
| Completeness [%] | 96.1 | 95.2 | 78.6 |
| Redundancy | 2.4 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 296 | 2.4 M ammonium sulphate, Tris 50 mM, HgCl2 2mM |
