8SD6
Carbonic anhydrase II radiation damage RT 31-60
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 | 42.574, 41.327, 72.363 |
| Unit cell angles | 90.00, 104.28, 90.00 |
Refinement procedure
| Resolution | 24.653 - 1.397 |
| R-factor | 0.1382 |
| Rwork | 0.137 |
| R-free | 0.15360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ks3 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.058 |
| 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 | 1.420 |
| High resolution limit [Å] | 1.397 | 1.397 |
| Rmeas | 0.137 | 0.217 |
| Number of reflections | 48076 | 48076 |
| <I/σ(I)> | 16.05 | |
| Completeness [%] | 99.2 | |
| Redundancy | 5.7 |
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 |
