9KJ5
Cu- 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 | 42.306, 41.371, 72.163 |
| Unit cell angles | 90.00, 103.99, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.200 |
| R-factor | 0.10728 |
| Rwork | 0.106 |
| R-free | 0.12947 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.506 |
| 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 | 0.057 | 0.243 |
| Rmeas | 0.061 | 0.262 |
| Rpim | 0.022 | 0.097 |
| Number of reflections | 72781 | 3539 |
| <I/σ(I)> | 34.1 | 10.5 |
| Completeness [%] | 95.9 | 93 |
| Redundancy | 7.5 | 7.2 |
| CC(1/2) | 1.000 | 0.971 |
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 |
