3TI2
1.90 Angstrom resolution crystal structure of N-terminal domain 3-phosphoshikimate 1-carboxyvinyltransferase from Vibrio cholerae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-07-22 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 77.758, 40.072, 133.861 |
Unit cell angles | 90.00, 90.33, 90.00 |
Refinement procedure
Resolution | 29.810 - 1.900 |
R-factor | 0.1534 |
Rwork | 0.151 |
R-free | 0.19557 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3nvs |
RMSD bond length | 0.019 |
RMSD bond angle | 1.943 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.097 | 0.569 |
Number of reflections | 65572 | |
<I/σ(I)> | 13.8 | 2.6 |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | Protein: 4.0 mGr/mL, 0.25 M Sodium chloride, 0.01 M Tris-HCl (pH 8.3) Crystallization: Classics II (Qiagen) condition D10 0.1 M Bis-Tris pH 6.5 20% (w/v) PEG 5000 MME, VAPOR DIFFUSION, SITTING DROP, temperature 295K |