3ROI
2.20 Angstrom resolution structure of 3-phosphoshikimate 1-carboxyvinyltransferase (AroA) from Coxiella burnetii
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 | 2011-02-17 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.164, 116.408, 160.749 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.100 - 2.200 |
R-factor | 0.19323 |
Rwork | 0.191 |
R-free | 0.24308 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rf5 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.372 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | BALBES |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 30.000 |
High resolution limit [Å] | 2.200 |
Rmerge | 0.070 |
Number of reflections | 40980 |
<I/σ(I)> | 51 |
Completeness [%] | 100.0 |
Redundancy | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4 | 295 | 7.5 mg/ml, 0.5 M NaCl, 0.01 Tris, JCSG+, B1 0.8 M Ammonium Sulfate, 0.1 M tri-Sodium Citrate, pH 4.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K |