8VZG
Carbonic anhydrase II mutant with DRD function
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-07-06 |
| Detector | DECTRIS EIGER2 S 16M |
| Wavelength(s) | 0.97626 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.534, 69.042, 80.075 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.150 - 1.790 |
| Rwork | 0.150 |
| R-free | 0.18080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.775 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.150 | 1.830 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.095 | 0.729 |
| Rmeas | 0.099 | 0.786 |
| Rpim | 0.029 | 0.283 |
| Total number of observations | 266549 | 8169 |
| Number of reflections | 22756 | 1169 |
| <I/σ(I)> | 18.3 | 2.3 |
| Completeness [%] | 99.1 | |
| Redundancy | 11.7 | 7 |
| CC(1/2) | 0.999 | 0.796 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 1.45M sodium citrate, 0.1M Tris-HCl pH 8.0, 4% v/v Polypropylene glycol P 400 |
