2WWC
3D-structure of the modular autolysin LytC from Streptococcus pneumoniae in complex with synthetic peptidoglycan ligand
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-09-15 |
Detector | ADSC CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.540, 68.800, 75.640 |
Unit cell angles | 90.00, 105.45, 90.00 |
Refinement procedure
Resolution | 41.670 - 1.750 |
R-factor | 0.176 |
Rwork | 0.174 |
R-free | 0.20300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ww5 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.224 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.280 | 1.840 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.060 | 0.400 |
Number of reflections | 57956 | |
<I/σ(I)> | 14 | 2.1 |
Completeness [%] | 98.0 | 84 |
Redundancy | 3.6 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |