4GFP
2.7 Angstrom resolution structure of 3-phosphoshikimate 1-carboxyvinyltransferase (AroA) from Coxiella burnetii in a second conformational state
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 | 2012-03-16 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97850 |
Spacegroup name | P 64 |
Unit cell lengths | 125.426, 125.426, 108.260 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.040 - 2.700 |
R-factor | 0.22869 |
Rwork | 0.227 |
R-free | 0.26104 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3slh |
RMSD bond length | 0.012 |
RMSD bond angle | 1.612 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.750 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.072 | 0.535 |
Number of reflections | 27005 | |
<I/σ(I)> | 23.3 | 3.5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 5.7 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | Protein solution: 7.5 mg/ml, 0.25 M NaCl, 0.01 M Tris-HCl pH 7.3, Screen solution: Classics D7 (Qiagen), 0.1 M HEPES pH 7.5, 4.3 M NaCl, VAPOR DIFFUSION, SITTING DROP, temperature 295K |