3NVS
1.02 Angstrom resolution crystal structure of 3-phosphoshikimate 1-carboxyvinyltransferase from Vibrio cholerae in complex with shikimate-3-phosphate (partially photolyzed) and glyphosate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-06-14 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.82648 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 43.866, 87.484, 49.994 |
Unit cell angles | 90.00, 105.26, 90.00 |
Refinement procedure
Resolution | 14.890 - 1.021 |
R-factor | 0.11525 |
Rwork | 0.114 |
R-free | 0.13767 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1g6s |
RMSD bond length | 0.011 |
RMSD bond angle | 1.542 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 1.040 |
High resolution limit [Å] | 1.020 | 1.020 |
Rmerge | 0.044 | 0.391 |
Number of reflections | 178530 | |
<I/σ(I)> | 16.3 | 2.2 |
Completeness [%] | 97.2 | 95.5 |
Redundancy | 2.2 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | Protein: 4.0 mGr/mL, 0.25M Sodium cloride, 0.01M Tris-HCl (pH 8.3), 2mM Glyphosate, 1mM Shikimate-3-phosphate; Screen: Classics II (G12), 0.2M Magnesium chloride, 0.1M HEPES (pH 7.5), 25% (w/v) PEG3350., VAPOR DIFFUSION, SITTING DROP, temperature 295K |