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 |