3R5X
Crystal Structure of D-alanine--D-Alanine Ligase from Bacillus anthracis complexed with ATP
Experimental procedure
| Experimental method | SAD |
| 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 1 |
| Unit cell lengths | 56.336, 68.992, 92.387 |
| Unit cell angles | 73.36, 84.96, 75.46 |
Refinement procedure
| Resolution | 32.775 - 2.000 |
| R-factor | 0.18 |
| Rwork | 0.177 |
| R-free | 0.22100 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.284 |
| 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 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 84177 | |
| <I/σ(I)> | 12.5 | 1.84 |
| Completeness [%] | 97.2 | 93.3 |
| Redundancy | 2.1 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 0.1 M BIS-TRIS pH 6.5, 20 % w/v Polyethylene glycol monomethyl ether 5000, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
