8CHC
PBP AccA from A. vitis S4 in complex with Agrocinopine D-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 | 2017-05-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98011 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.000, 60.850, 151.550 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.390 - 1.679 |
| R-factor | 0.1973 |
| Rwork | 0.196 |
| R-free | 0.22950 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.050 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.390 | 1.780 |
| High resolution limit [Å] | 1.679 | 1.679 |
| Rmerge | 0.111 | 1.590 |
| Number of reflections | 49148 | 6588 |
| <I/σ(I)> | 12.8 | |
| Completeness [%] | 97.1 | |
| Redundancy | 12.4 | |
| CC(1/2) | 0.999 | 0.778 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 292 | PEG 8000, MES |
