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 |
