8UMN
EPSPS TIPS P126S K296R 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 | 46.319, 63.105, 69.786 |
Unit cell angles | 85.36, 85.84, 85.53 |
Refinement procedure
Resolution | 39.620 - 1.600 |
R-factor | 0.1581 |
Rwork | 0.158 |
R-free | 0.18140 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 0.866 |
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] | 40.000 | 40.000 | 1.630 |
High resolution limit [Å] | 1.600 | 4.340 | 1.600 |
Rmerge | 0.041 | 0.271 | |
Rmeas | 0.049 | 0.343 | |
Rpim | 0.049 | 0.026 | 0.208 |
Number of reflections | 86470 | 4649 | 2641 |
<I/σ(I)> | 6 | ||
Completeness [%] | 83.6 | 89.7 | 51.4 |
Redundancy | 2.9 | 3.3 | 2 |
CC(1/2) | 0.992 | 0.856 |
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 |