8IY1
Structure of Acb2 complexed with cAAG
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 | 2023-03-15 |
Detector | DECTRIS PILATUS3 X 6M |
Wavelength(s) | 1 |
Spacegroup name | P 3 2 1 |
Unit cell lengths | 103.590, 103.590, 101.436 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.680 - 2.100 |
R-factor | 0.2226 |
Rwork | 0.221 |
R-free | 0.24800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.029 |
RMSD bond angle | 2.891 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.20_4459: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 5.700 | 2.100 |
Rmerge | 0.097 | 0.045 | 0.845 |
Rmeas | 0.099 | 0.047 | 0.879 |
Rpim | 0.023 | 0.011 | 0.235 |
Total number of observations | 638202 | ||
Number of reflections | 36272 | 1980 | 1648 |
<I/σ(I)> | 10.1 | ||
Completeness [%] | 98.1 | 99.2 | 92.8 |
Redundancy | 17.6 | 16.4 | 13.6 |
CC(1/2) | 0.997 | 0.999 | 0.890 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 3350, Sodium bromide |