3K3P
Crystal Structure of the Apo Form of D-Alanine:D-Alanine Ligase (DDl) from Streptococcus mutans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2008-12-27 |
| Detector | OXFORD ONYX CCD |
| Wavelength(s) | 1.54056 |
| Spacegroup name | P 32 |
| Unit cell lengths | 79.502, 79.502, 109.400 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 17.580 - 2.230 |
| R-factor | 0.199 |
| Rwork | 0.196 |
| R-free | 0.24800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2i87 |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.930 |
| Data reduction software | CrysalisPro |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.850 | 2.350 |
| High resolution limit [Å] | 2.230 | 2.230 |
| Rmerge | 0.092 | 0.605 |
| Number of reflections | 37656 | |
| <I/σ(I)> | 16.3 | 1.2 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 3.6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 289 | 0.05M magnesium sulfate, 0.05M HEPES, 1.2M lithium sulfate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
