7PL3
Crystal structure of catalytic domain in closed conformation of LytB from Streptococcus pneumoniae
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 | 2019-11-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97926 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 47.157, 92.675, 124.560 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.430 - 1.800 |
| R-factor | 0.1596 |
| Rwork | 0.157 |
| R-free | 0.20720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4q2w |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.788 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.430 | 1.820 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.093 | 0.763 |
| Rpim | 0.042 | 0.354 |
| Number of reflections | 26519 | 1491 |
| <I/σ(I)> | 11.5 | |
| Completeness [%] | 99.7 | |
| Redundancy | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | PEG 300 Bis-Tris calcium acetate |
