8SF1
Carbonic anhydrase II XFEL radiation damage RT
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 | 2018-10-11 |
| Detector | RAYONIX MX225-HS |
| Wavelength(s) | 1.278 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.920, 42.010, 73.440 |
| Unit cell angles | 90.00, 104.58, 90.00 |
Refinement procedure
| Resolution | 31.154 - 1.700 |
| R-factor | 0.1826 |
| Rwork | 0.181 |
| R-free | 0.20740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 2.046 |
| 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] | 31.200 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmeas | 0.218 | 6.478 |
| Number of reflections | 27601 | 25565 |
| <I/σ(I)> | 5.51 | |
| Completeness [%] | 100.0 | |
| Redundancy | 130.3 |
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 |
