8U1I
Crystal structure of SyoA bound to 4-methylsyringol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-02-17 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 57.414, 62.764, 58.078 |
Unit cell angles | 90.00, 104.58, 90.00 |
Refinement procedure
Resolution | 41.600 - 1.120 |
R-factor | 0.1376 |
Rwork | 0.137 |
R-free | 0.15350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8u19 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.139 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.600 | 1.160 |
High resolution limit [Å] | 1.120 | 1.120 |
Rmerge | 0.070 | 1.213 |
Number of reflections | 153831 | 92855 |
<I/σ(I)> | 11.41 | 1.3 |
Completeness [%] | 100.0 | 99.93 |
Redundancy | 6.7 | |
CC(1/2) | 0.999 | 0.626 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.1 | 289 | 0.2 M lithium nitrate, 20% w/v PEG3350 |