8KBL
Structure of AcrIIA7 complexed with 1',3'-cADPR and cGG
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL02U1 |
Synchrotron site | SSRF |
Beamline | BL02U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-05-15 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 0.979 |
Spacegroup name | P 42 2 2 |
Unit cell lengths | 63.729, 63.729, 63.153 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.680 - 1.980 |
R-factor | 0.22 |
Rwork | 0.219 |
R-free | 0.23420 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.016 |
RMSD bond angle | 1.596 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.710 | 2.030 |
High resolution limit [Å] | 1.980 | 1.980 |
Rmerge | 0.211 | 2.161 |
Rmeas | 0.216 | 2.203 |
Rpim | 0.044 | 0.427 |
Total number of observations | 232505 | 18088 |
Number of reflections | 9583 | 697 |
<I/σ(I)> | 18.6 | 8.1 |
Completeness [%] | 100.0 | |
Redundancy | 24.3 | 26 |
CC(1/2) | 0.998 | 0.983 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2 M Ammonium sulfate, 25% w/v Polyethylene glycol 4000 |