9KIS
Ni- Carbonic Anhydrase II pH 7.8 2.5 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 | 42.202, 41.164, 71.585 |
| Unit cell angles | 90.00, 104.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.200 |
| R-factor | 0.12571 |
| Rwork | 0.125 |
| R-free | 0.14962 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.033 |
| RMSD bond angle | 2.702 |
| 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 | 0.067 | 0.593 |
| Rmeas | 0.073 | 0.639 |
| Rpim | 0.027 | 0.235 |
| Number of reflections | 73687 | 3584 |
| <I/σ(I)> | 27.2 | 3.8 |
| Completeness [%] | 98.4 | 96.9 |
| Redundancy | 7.4 | 7.2 |
| CC(1/2) | 0.998 | 0.853 |
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 |
