5CTV
Catalytic domain of LytA, the major autolysin of Streptococcus pneumoniae, (C60A, H133A, C136A mutant) complexed with peptidoglycan fragment
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-06-20 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.972 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.566, 54.623, 78.877 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.910 - 1.050 |
R-factor | 0.13477 |
Rwork | 0.134 |
R-free | 0.15273 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ivv |
RMSD bond length | 0.006 |
RMSD bond angle | 1.325 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.000 | 1.070 |
High resolution limit [Å] | 1.050 | 1.050 |
Rmerge | 0.094 | 0.650 |
Number of reflections | 90326 | |
<I/σ(I)> | 10.2 | 2.1 |
Completeness [%] | 99.8 | 65.1 |
Redundancy | 5.9 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 293 | PEG 6000, 1M LiCl, 0.1M Tris HCl |