8WER
Carbonic Anhydrase II T200V variant 0 atm CO2 pressure (pH 7.8)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 6D |
| Synchrotron site | PAL/PLS |
| Beamline | 6D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2023-03-22 |
| Detector | RAYONIX MX225-HS |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.107, 41.292, 72.312 |
| Unit cell angles | 90.00, 104.24, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.420 |
| R-factor | 0.11761 |
| Rwork | 0.116 |
| R-free | 0.15539 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.442 |
| 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] | 50.000 | 1.440 |
| High resolution limit [Å] | 1.420 | 1.420 |
| Rmerge | 0.064 | 0.597 |
| Rmeas | 0.069 | 0.657 |
| Rpim | 0.025 | 0.268 |
| Number of reflections | 44044 | 2102 |
| <I/σ(I)> | 30.9 | 2.3 |
| Completeness [%] | 96.3 | 92.2 |
| Redundancy | 7.5 | 5.6 |
| CC(1/2) | 0.997 | 0.790 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 293 | 1.3M sodium citrate, 50mM Tris-HCl |
