3QTT
Crystal Structure of Pantoate-beta-alanine Ligase from Francisella tularensis Complexed with Beta-gamma ATP and Beta-alanine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-12-09 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97912 |
| Spacegroup name | P 43 |
| Unit cell lengths | 47.147, 47.147, 257.661 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.338 - 2.599 |
| R-factor | 0.1764 |
| Rwork | 0.168 |
| R-free | 0.25130 |
| Structure solution method | SAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.634 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: dev_601)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.640 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 17255 | |
| <I/σ(I)> | 9 | 3.1 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 7.6 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.2 M Proline, 0.1 M HEPES pH 7.5, 10 % w/v PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
