3R23
Crystal Structure of D-alanine--D-Alanine Ligase from Bacillus anthracis
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 | 2010-06-04 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.878, 83.187, 128.380 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.238 - 2.500 |
| R-factor | 0.197 |
| Rwork | 0.191 |
| R-free | 0.25600 |
| Structure solution method | SAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.518 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 25302 | |
| <I/σ(I)> | 8.3 | 4.04 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 44.9 | 9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 0.1 M BIS-TRIS, 20% w/v Polyethylene glycol monomethyl ether 5,000, VAPOR DIFFUSION, SITTING DROP, temperature 100K, pH 6.5, temperature 289K |
