3R76
Crystal structure of 2-amino-2-desoxyisochorismate synthase (ADIC) synthase PhzE from Burkholderia lata 383 in complex with benzoate, pyruvate and glutamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-12-11 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 258.166, 97.792, 53.988 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.660 - 2.600 |
R-factor | 0.1665 |
Rwork | 0.163 |
R-free | 0.22500 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3r75 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.572 |
Data scaling software | XSCALE |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.664 | 2.700 | |
High resolution limit [Å] | 2.600 | 20.000 | 2.600 |
Rmerge | 0.060 | 0.024 | 0.357 |
Number of reflections | 43071 | 113 | 4557 |
<I/σ(I)> | 17.71 | 33.49 | 4.45 |
Completeness [%] | 99.8 | 88.3 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 276 | 0.1 M HEPES, 0.2 M Mg-chloride, 22% isopropanol, pre-incubation on ice for 30' with 50 mM Mg-chloride, 20 mM glutamine, 20 mM chorismate, streak-seeding, pH 7.1, vapor diffusion, hanging drop, temperature 276K, VAPOR DIFFUSION, HANGING DROP |