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 |
