9KIB
Zn- Carbonic Anhydrase II pH 7.8 15 atm CO2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
| Synchrotron site | PAL/PLS |
| Beamline | 7A (6B, 6C1) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2020-11-03 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.319, 41.464, 72.106 |
| Unit cell angles | 90.00, 104.09, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.200 |
| R-factor | 0.11008 |
| Rwork | 0.109 |
| R-free | 0.12890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.033 |
| RMSD bond angle | 2.539 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC (5.8.0135) |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.220 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.064 | 0.458 |
| Rmeas | 0.069 | 0.493 |
| Rpim | 0.025 | 0.181 |
| Number of reflections | 73418 | 3568 |
| <I/σ(I)> | 29.1 | 5 |
| Completeness [%] | 96.6 | 93.8 |
| Redundancy | 7.4 | 7.4 |
| CC(1/2) | 0.997 | 0.914 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 293 | 1.3 M sodium citrate, 50 mM Tris-HCl |
