3MUE
Crystal Structure of Pantoate-beta-Alanine Ligase from Salmonella typhimurium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-14 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97915 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 158.226, 134.923, 93.923 |
| Unit cell angles | 90.00, 93.96, 90.00 |
Refinement procedure
| Resolution | 35.387 - 2.701 |
| R-factor | 0.181 |
| Rwork | 0.178 |
| R-free | 0.22900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDBID 1IHO |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.280 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | BALBES |
| Refinement software | PHENIX ((phenix.refine: 1.6_289)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.750 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Number of reflections | 53465 | |
| <I/σ(I)> | 9.8 | 2.9 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.1 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.1 M TRIS pH 8.5, 20 %v/v Ethanol, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
