8UML
EPSPS TIPS P126S variant complexed with glyphosate and shikimate-3-phosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-02-21 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.03317 |
Spacegroup name | P 1 |
Unit cell lengths | 46.532, 63.553, 70.231 |
Unit cell angles | 84.87, 85.78, 85.50 |
Refinement procedure
Resolution | 48.910 - 1.830 |
R-factor | 0.1575 |
Rwork | 0.157 |
R-free | 0.18590 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.819 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.18rc3_3805: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.860 |
High resolution limit [Å] | 1.830 | 4.970 | 1.830 |
Rmerge | 0.039 | 0.336 | |
Rmeas | 0.048 | 0.439 | |
Rpim | 0.056 | 0.027 | 0.279 |
Number of reflections | 61573 | 3132 | 2822 |
<I/σ(I)> | 5.8 | ||
Completeness [%] | 87.4 | 88.9 | 79.1 |
Redundancy | 2.8 | 3 | 1.9 |
CC(1/2) | 0.997 | 0.800 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.1M MES pH 6.5, 25% PEG 8000 |