9JWW
T200H Carbonic Anhydrase II pH 7.8 20 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 | PIXEL |
| Collection date | 2024-06-17 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97933 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.659, 41.668, 72.587 |
| Unit cell angles | 90.00, 104.68, 90.00 |
Refinement procedure
| Resolution | 29.321 - 1.251 |
| Rwork | 0.137 |
| R-free | 0.15930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.887 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.270 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.068 | 0.555 |
| Rmeas | 0.074 | 0.625 |
| Rpim | 0.029 | 0.282 |
| Number of reflections | 66624 | 3111 |
| <I/σ(I)> | 28.076 | 2.368 |
| Completeness [%] | 97.7 | 92.1 |
| Redundancy | 6.5 | 4.8 |
| CC(1/2) | 0.997 | 0.801 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 1.3M of Sodium Citrate, 50mM Tris-HCl pH 7.8 |
