5JE3
Crystal structure of Burkholderia glumae ToxA Y7A mutant 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 | 2011-10-21 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97918 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 47.071, 67.265, 144.757 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.694 - 1.792 |
R-factor | 0.1678 |
Rwork | 0.166 |
R-free | 0.21110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Burkholderia glumae ToxA with bound SAH and 1 6-didemethyltoxoflavin |
RMSD bond length | 0.008 |
RMSD bond angle | 0.924 |
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] | 33.700 | 1.870 |
High resolution limit [Å] | 1.790 | 1.790 |
Rmerge | 0.059 | 0.520 |
Number of reflections | 43376 | |
<I/σ(I)> | 16.6 | 3.3 |
Completeness [%] | 99.9 | 99.7 |
Redundancy | 4.6 | 3.9 |
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 |