8KBK
Structure of AcrIIA7 complexed with 1',2'-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 | 2023-07-15 |
Detector | DECTRIS EIGER2 S 9M |
Wavelength(s) | 0.979 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 104.270, 57.690, 92.510 |
Unit cell angles | 90.00, 121.71, 90.00 |
Refinement procedure
Resolution | 27.080 - 2.280 |
R-factor | 0.2319 |
Rwork | 0.229 |
R-free | 0.28850 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 2.056 |
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] | 47.760 | 2.340 |
High resolution limit [Å] | 2.280 | 2.280 |
Rmerge | 0.093 | 1.211 |
Rmeas | 0.101 | 1.322 |
Rpim | 0.038 | 0.523 |
Total number of observations | 143086 | 9675 |
Number of reflections | 21073 | 1528 |
<I/σ(I)> | 11.5 | 1.7 |
Completeness [%] | 98.2 | |
Redundancy | 6.8 | 6.3 |
CC(1/2) | 0.998 | 0.730 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2 M Potassium thiocyanate, 20% w/v Polyethylene glycol 3350 |