8UMM
EPSPS TIPS 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 | 45.738, 62.422, 68.031 |
Unit cell angles | 86.56, 86.17, 86.69 |
Refinement procedure
Resolution | 44.600 - 2.200 |
R-factor | 0.1574 |
Rwork | 0.155 |
R-free | 0.19880 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.038 |
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 | 2.240 |
High resolution limit [Å] | 2.200 | 5.970 | 2.200 |
Rmerge | 0.048 | 0.270 | |
Rmeas | 0.056 | 0.330 | |
Rpim | 0.062 | 0.029 | 0.189 |
Number of reflections | 34634 | 1794 | 1502 |
<I/σ(I)> | 4.2 | ||
Completeness [%] | 89.0 | 92 | 77.7 |
Redundancy | 3.5 | 3.7 | 2.6 |
CC(1/2) | 0.997 | 0.898 |
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 |