8QLG
Crystal structure of the pneumococcal Substrate-binding protein AliD in closed conformation in complex with Peptide 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-02-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 |
| Unit cell lengths | 52.038, 67.089, 109.448 |
| Unit cell angles | 84.05, 87.26, 71.72 |
Refinement procedure
| Resolution | 45.266 - 2.100 |
| R-factor | 0.1928 |
| Rwork | 0.191 |
| R-free | 0.22690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.630 | 2.050 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.100 | 0.820 |
| Number of reflections | 94495 | 4650 |
| <I/σ(I)> | 7.3 | |
| Completeness [%] | 97.1 | |
| Redundancy | 3.5 | |
| CC(1/2) | 0.990 | 0.780 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 150 mM Zn Acetate, 10% PEG8000, 0.1 M MES pH=6.5 |
