7PJ3
Crystal structure of catalytic domain in open conformation of LytB from Streptococcus pneumoniae
This is a non-PDB format compatible entry.
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 | 47.276, 92.614, 124.392 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.434 - 1.430 |
| Rwork | 0.144 |
| R-free | 0.18520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4q2w |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.597 |
| 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] | 46.310 | 1.450 |
| High resolution limit [Å] | 1.430 | 1.430 |
| Rmerge | 0.040 | 0.775 |
| Rpim | 0.012 | 0.219 |
| Number of reflections | 50892 | 2479 |
| <I/σ(I)> | 31 | |
| Completeness [%] | 100.0 | |
| Redundancy | 13.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | PEG 300 Bis-Tris calcium acetate |
