8KBF
Structure of CbTad1 complexed with 1',3'-cADPR and cA3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-07-03 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 3 |
Unit cell lengths | 101.270, 101.270, 101.270 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.800 - 2.310 |
R-factor | 0.2062 |
Rwork | 0.204 |
R-free | 0.24990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7uaw |
RMSD bond length | 0.010 |
RMSD bond angle | 1.803 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.18.2_3874: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.800 | 2.370 |
High resolution limit [Å] | 2.310 | 2.310 |
Rmerge | 0.134 | 2.305 |
Rmeas | 0.136 | 2.334 |
Rpim | 0.021 | 0.363 |
Total number of observations | 617623 | 45768 |
Number of reflections | 15435 | 1113 |
<I/σ(I)> | 22 | 2.3 |
Completeness [%] | 100.0 | |
Redundancy | 40 | 41.1 |
CC(1/2) | 0.999 | 0.768 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 3.2 M Ammonium sulfate, 0.1 M Citrate pH 5.0 |