3BMA
Crystal structure of D-alanyl-lipoteichoic acid synthetase from Streptococcus pneumoniae R6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2006-11-15 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9796 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 92.956, 148.064, 208.146 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.240 |
| R-factor | 0.21568 |
| Rwork | 0.214 |
| R-free | 0.27133 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.074 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.3.0034) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.330 |
| High resolution limit [Å] | 2.240 | 2.240 |
| Rmerge | 0.195 | 0.910 |
| Number of reflections | 138224 | |
| <I/σ(I)> | 2.9 | 0.8 |
| Completeness [%] | 99.2 | 96.2 |
| Redundancy | 6.2 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 294 | 100mM Bis-Tris pH 5.5, 21% PEG 6000, 200mM Lithium sulfate, 10% Glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
