9U5B
T200H Carbonic Anhydrase II pH 7.8 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 | PIXEL |
| Collection date | 2024-06-17 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97933 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.161, 41.401, 72.682 |
| Unit cell angles | 90.00, 104.62, 90.00 |
Refinement procedure
| Resolution | 29.058 - 1.250 |
| Rwork | 0.143 |
| R-free | 0.17040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.911 |
| 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] | 50.000 | 1.270 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.092 | 0.510 |
| Rmeas | 0.100 | 0.591 |
| Rpim | 0.039 | 0.293 |
| Number of reflections | 67198 | 3270 |
| <I/σ(I)> | 22.37 | 1.8 |
| Completeness [%] | 99.9 | 98.9 |
| Redundancy | 6 | 3.8 |
| CC(1/2) | 0.999 | 0.809 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 293.15 | 1.3M of Sodium Citrate 50mM Tris-HCl pH 7.8 |
