5JE2
Crystal structure of Burkholderia glumae ToxA Y7F 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 1 21 1 |
Unit cell lengths | 44.936, 70.974, 77.754 |
Unit cell angles | 90.00, 100.52, 90.00 |
Refinement procedure
Resolution | 29.123 - 1.519 |
R-factor | 0.1291 |
Rwork | 0.128 |
R-free | 0.15380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Burkholderia glumae ToxA |
RMSD bond length | 0.008 |
RMSD bond angle | 1.017 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.123 | 1.570 |
High resolution limit [Å] | 1.519 | 1.520 |
Rmerge | 0.036 | 0.109 |
Number of reflections | 73380 | |
<I/σ(I)> | 22.2 | 9.1 |
Completeness [%] | 99.1 | 93.9 |
Redundancy | 3.1 | 2.8 |
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 |