7TM6
Crystal structure of shikimate-3-phosphate and glyphosate bound 3-phosphoshikimate 1-carboxyvinyltransferase from Klebsiella pneumoniae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 19-ID |
Synchrotron site | NSLS-II |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-10-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97949 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.243, 115.220, 183.266 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.510 - 1.260 |
R-factor | 0.1379 |
Rwork | 0.137 |
R-free | 0.15530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1g6t |
RMSD bond length | 0.007 |
RMSD bond angle | 0.995 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.7) |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 97.540 | 97.540 | 1.340 |
High resolution limit [Å] | 1.260 | 3.790 | 1.260 |
Rmerge | 0.054 | 0.026 | 0.592 |
Rmeas | 0.059 | 0.028 | 0.644 |
Rpim | 0.023 | 0.011 | 0.249 |
Total number of observations | 1557386 | 61221 | 255970 |
Number of reflections | 241838 | 9890 | 39703 |
<I/σ(I)> | 14.9 | 45.1 | 2.4 |
Completeness [%] | 96.7 | 99.8 | 99.1 |
Redundancy | 6.4 | 6.2 | 6.4 |
CC(1/2) | 0.999 | 0.999 | 0.856 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | Morpheus B5: 12% (v/v) PEG 500 MME: 8% (w/v) PEG 20000, 0.1M (Sodium HEPES: MOPS), 0.03 M Sodium fluoride: 0.03 M Sodium bromide: 0.03 M Sodium iodide), KlpnC.18288.a.B1.PW39049 at 20 mg/mL, Tray: plate 12156 well B5 drop 2, Puck: PSL0514, Cryo: direct |