7PL5
Crystal structure of choline-binding module (R1-R9) of LytB from Streptococcus pneumoniae
This is a non-PDB format compatible entry.
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 | 2017-03-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979260 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.299, 96.143, 49.096 |
Unit cell angles | 90.00, 100.97, 90.00 |
Refinement procedure
Resolution | 44.504 - 1.990 |
Rwork | 0.172 |
R-free | 0.23280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2v05 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.827 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MoRDa |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.200 | 2.030 |
High resolution limit [Å] | 1.990 | 1.990 |
Rmerge | 0.238 | 0.952 |
Rpim | 0.108 | 0.496 |
Number of reflections | 28181 | 1665 |
<I/σ(I)> | 6 | |
Completeness [%] | 98.7 | |
Redundancy | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | MES buffer Zinc sulfate PEG 6000 |