5JDZ
Crystal structure of Burkholderia glumae ToxA with bound S-adenosylhomocysteine (SAH)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-06-25 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97926 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.839, 65.627, 144.731 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.300 - 1.600 |
R-factor | 0.1788 |
Rwork | 0.177 |
R-free | 0.21360 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | Burkholderia glumae ToxA Y7A mutant with bound SAH |
RMSD bond length | 0.005 |
RMSD bond angle | 0.808 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.10-2155-000)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.300 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.052 | 0.296 |
Number of reflections | 56573 | |
<I/σ(I)> | 14.6 | 4.7 |
Completeness [%] | 94.6 | 84.8 |
Redundancy | 3.9 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | 18 - 23% polyethylene glycol monomethyl ether 2000, 100 mM Tris, pH 6.1 - 6.8, and 6 mM SAH |