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 |