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 |