4Q2W
Crystal Structure of pneumococcal peptidoglycan hydrolase LytB
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97923 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 123.828, 44.593, 52.221 |
| Unit cell angles | 90.00, 94.52, 90.00 |
Refinement procedure
| Resolution | 33.100 - 1.650 |
| R-factor | 0.18252 |
| Rwork | 0.181 |
| R-free | 0.21726 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.196 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.710 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.094 | 0.656 |
| Number of reflections | 33952 | |
| <I/σ(I)> | 14.855 | 2.167 |
| Completeness [%] | 98.4 | 89.7 |
| Redundancy | 5.3 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6 | 289 | 15% PEG 6000, 0.1M sodium cacodylate, pH 6.0, VAPOR DIFFUSION, temperature 289.0K |
