3UY4
Crystal Structure of Pantoate--Beta-Alanine Ligase from Campylobacter jejuni complexed with AMP and vitamin B5
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 | 2011-11-11 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97911 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 83.401, 83.401, 150.162 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.180 - 1.851 |
| R-factor | 0.172 |
| Rwork | 0.171 |
| R-free | 0.20100 |
| Structure solution method | SAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.968 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: dev_851)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Number of reflections | 26959 | |
| <I/σ(I)> | 10 | 1.8 |
| Completeness [%] | 99.7 | 97.9 |
| Redundancy | 7.6 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 20 %(w/v) PEG8000, HEPES pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
