8QLK
Crystal structure of the pneumococcal Substrate-binding protein AliB in complex with Peptide 2
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 | 2020-01-24 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.976, 111.501, 56.280 |
| Unit cell angles | 90.00, 108.04, 90.00 |
Refinement procedure
| Resolution | 48.244 - 2.290 |
| R-factor | 0.1681 |
| Rwork | 0.165 |
| R-free | 0.21920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.620 |
| 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] | 48.244 | 2.370 |
| High resolution limit [Å] | 2.290 | 2.290 |
| Rmerge | 0.695 | |
| Rpim | 0.359 | |
| Number of reflections | 27597 | 1767 |
| <I/σ(I)> | 10.7 | |
| Completeness [%] | 98.6 | |
| Redundancy | 4.5 | |
| CC(1/2) | 0.995 | 0.850 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1M Sodium Acetate, 8% 2-Propanol and 21% PEG4000 |
