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 |