2WWD
3D-structure of the modular autolysin LytC from Streptococcus pneumoniae in complex with pneummococcal peptidoglycan fragment
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-14 |
Detector | ADSC CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.400, 66.870, 77.920 |
Unit cell angles | 90.00, 105.77, 90.00 |
Refinement procedure
Resolution | 57.170 - 2.250 |
R-factor | 0.206 |
Rwork | 0.204 |
R-free | 0.23200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ww5 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.097 |
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] | 75.000 | 2.370 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.080 | 0.500 |
Number of reflections | 27909 | |
<I/σ(I)> | 12.7 | 2.6 |
Completeness [%] | 99.4 | 99.8 |
Redundancy | 3.5 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |