7PJ6
Crystal structure of catalytic domain of LytB (E585Q) from Streptococcus pneumoniae in complex with NAG-NAM-NAG-NAM-NAG peptidolycan analogue
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) | 0.979260 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 47.291, 92.543, 124.795 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.254 - 1.300 |
| Rwork | 0.149 |
| R-free | 0.17450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7pj3 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.677 |
| 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] | 46.270 | 1.320 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.065 | 0.765 |
| Rpim | 0.019 | 0.222 |
| Number of reflections | 67551 | 3302 |
| <I/σ(I)> | 19.6 | |
| Completeness [%] | 99.9 | |
| Redundancy | 13 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | PEG 300 Bis-Tris Calcium acetate |
