8CH1
PBP AccA from A. vitis S4 in complex with Agrocinopine A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-06-29 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.979330 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.100, 60.610, 151.280 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.300 - 1.496 |
| R-factor | 0.1755 |
| Rwork | 0.174 |
| R-free | 0.20190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.100 |
| 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] | 47.300 | 1.590 |
| High resolution limit [Å] | 1.496 | 1.496 |
| Rmerge | 0.090 | 1.303 |
| Number of reflections | 70531 | 10968 |
| <I/σ(I)> | 15.9 | |
| Completeness [%] | 99.5 | |
| Redundancy | 6.6 | |
| CC(1/2) | 0.990 | 0.970 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 292 | PEG 8000, HEPES |
