8SD9
Carbonic anhydrase II radiation damage RT 121-150
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | PAL-XFEL BEAMLINE CSI |
| Synchrotron site | PAL-XFEL |
| Beamline | CSI |
| Temperature [K] | 293 |
| Detector technology | CCD |
| Collection date | 2018-11-03 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.731, 41.592, 72.769 |
| Unit cell angles | 90.00, 104.47, 90.00 |
Refinement procedure
| Resolution | 20.451 - 1.904 |
| R-factor | 0.1373 |
| Rwork | 0.136 |
| R-free | 0.16320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ks3 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.160 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.15.2_3472: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmeas | 0.136 | 0.157 |
| Number of reflections | 19327 | 19327 |
| <I/σ(I)> | 13.62 | |
| Completeness [%] | 98.7 | |
| Redundancy | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 293 | 1.6 M sodium citrate, 50 mM Tris base |
