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 |