8CH3
PBP AccA from A. vitis S4 in complex with Agrocinopine C-like
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 | 2019-09-25 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.980101 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.830, 60.710, 151.390 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.370 - 1.398 |
R-factor | 0.1911 |
Rwork | 0.190 |
R-free | 0.21820 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.130 |
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] | 47.360 | 1.480 |
High resolution limit [Å] | 1.398 | 1.398 |
Rmerge | 0.082 | 2.364 |
Number of reflections | 85091 | 13395 |
<I/σ(I)> | 14.19 | |
Completeness [%] | 98.9 | |
Redundancy | 11 | |
CC(1/2) | 0.990 | 0.459 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 292 | PEG 8000, Tris-HCl |