5JE0
Crystal structure of Burkholderia glumae ToxA with bound S-adenosylhomocysteine (SAH) and 1,6-didemethyltoxoflavin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE A1 |
Synchrotron site | CHESS |
Beamline | A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-10-05 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.97590 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.857, 78.558, 144.315 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 17.700 - 1.552 |
R-factor | 0.2083 |
Rwork | 0.206 |
R-free | 0.24770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Burkholderia glumae ToxA |
RMSD bond length | 0.008 |
RMSD bond angle | 0.976 |
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] | 17.700 | 1.610 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.081 | 0.456 |
Number of reflections | 76116 | |
<I/σ(I)> | 10 | 3 |
Completeness [%] | 98.0 | 100 |
Redundancy | 4.2 | 4 |
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, 6 mM SAH, and 10 mM 1,6-didemethyltoxoflavin |