8OGD
Structure of zinc(II) double mutant human carbonic anhydrase II bound to thiocyanate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER IMUS MICROFOCUS |
| Temperature [K] | 100 |
| Detector technology | CMOS |
| Collection date | 2020-07-30 |
| Detector | BRUKER PHOTON 100 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.028, 41.333, 72.250 |
| Unit cell angles | 90.00, 104.43, 90.00 |
Refinement procedure
| Resolution | 23.770 - 1.750 |
| R-factor | 0.1725 |
| Rwork | 0.171 |
| R-free | 0.19810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.568 |
| Data reduction software | careless |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.770 | 1.813 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.071 | |
| Number of reflections | 24493 | 2410 |
| <I/σ(I)> | 11.44 | |
| Completeness [%] | 99.8 | |
| Redundancy | 1.9 | |
| CC(1/2) | 0.993 | 0.659 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 100 mM HEPES, 2.9 M ammonium sulfate, 1 mM 4-hydroxymercuric benzoic acid sodium salt. |
