9OAM
Room temperature structure of carbonic anhydrase II in complex with vorinostat (co-crystal)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX IV BEAMLINE BioMAX |
| Synchrotron site | MAX IV |
| Beamline | BioMAX |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2024-12-05 |
| Detector | DECTRIS EIGER2 X CdTe 16M |
| Wavelength(s) | 0.7293 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.912, 41.753, 72.780 |
| Unit cell angles | 90.00, 104.50, 90.00 |
Refinement procedure
| Resolution | 19.070 - 1.400 |
| R-factor | 0.1532 |
| Rwork | 0.152 |
| R-free | 0.17070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.924 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.880 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.076 | 0.336 |
| Rpim | 0.048 | 0.230 |
| Number of reflections | 49387 | 4152 |
| <I/σ(I)> | 10 | 3.2 |
| Completeness [%] | 98.1 | 84.8 |
| Redundancy | 3.4 | 2.9 |
| CC(1/2) | 0.994 | 0.832 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 293 | 50 mM Tris HCl pH 8.0, 1.25 M sodium citrate |
