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 |