7PJ5
Crystal structure of catalytic domain of LytB from Streptococcus pneumoniae in complex with NAG-NAG-NAG-NAG tetrasaccharide
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 | 2019-12-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979260 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 47.679, 92.358, 124.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.174 - 1.550 |
| Rwork | 0.144 |
| R-free | 0.19170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7pj3 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.668 |
| 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] | 46.180 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.058 | 0.701 |
| Rpim | 0.017 | 0.199 |
| Number of reflections | 40276 | 1981 |
| <I/σ(I)> | 24.5 | |
| Completeness [%] | 100.0 | |
| Redundancy | 12.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | PEG 300 Bis-Tris Calcium acetate |
