8CDO
PBP AccA-F144YG440Q from A. tumefaciens Bo542 in complex with agrocinopine C-like
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 | 2021-03-12 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 122.116, 122.116, 122.116 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.310 - 1.320 |
| R-factor | 0.148 |
| Rwork | 0.147 |
| R-free | 0.16780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.170 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.4 (21-NOV-2022)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 86.300 | 1.360 |
| High resolution limit [Å] | 1.320 | 1.320 |
| Rmerge | 0.102 | 3.270 |
| Number of reflections | 135341 | 6758 |
| <I/σ(I)> | 23.3 | |
| Completeness [%] | 95.6 | |
| Redundancy | 40.9 | |
| CC(1/2) | 1.000 | 0.635 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 292 | PEG 4000, Tris-HCl |
