3UK2
The structure of Pantothenate synthetase from Burkholderia thailandensis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-28 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97857 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 166.910, 166.910, 166.910 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.730 - 2.250 |
| R-factor | 0.1808 |
| Rwork | 0.178 |
| R-free | 0.22530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.495 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.3.0) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 118.020 | 2.310 | |
| High resolution limit [Å] | 2.250 | 10.060 | 2.250 |
| Rmerge | 0.080 | 0.022 | 0.471 |
| Number of reflections | 36697 | 439 | 2690 |
| <I/σ(I)> | 21.88 | 68.31 | 4.45 |
| Completeness [%] | 99.9 | 95.6 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 289 | ButhA.00097.a 51.6 mg/ml, 0.1M MMT buffer, 25% PEG1500. Cryoprotection 25% ethylene glycol, pH 4.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
