8CKE
PBP AccA from A.tumefaciens C58 in complex with agrocinopine A in space group I222
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-03-26 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97856 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 77.923, 108.033, 112.759 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.900 - 1.298 |
| R-factor | 0.1554 |
| Rwork | 0.154 |
| R-free | 0.18670 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.190 |
| Data reduction software | autoPROC |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.4 (21-NOV-2022)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.000 | 1.447 |
| High resolution limit [Å] | 1.298 | 1.298 |
| Rmerge | 0.086 | 1.600 |
| Number of reflections | 78672 | 3936 |
| <I/σ(I)> | 15.5 | |
| Completeness [%] | 67.1 | |
| Redundancy | 13.7 | |
| CC(1/2) | 0.999 | 0.630 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 292 | PEG 4000, NH4 acetate, citrate Na |
