7PJ4
Crystal structure of catalytic domain in closed conformation of LytB (E585Q)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 | 46.651, 92.679, 124.196 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.454 - 1.250 |
| Rwork | 0.136 |
| R-free | 0.16230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7pj3 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.630 |
| 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] | 46.340 | 1.270 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.066 | 0.763 |
| Rpim | 0.020 | 0.226 |
| Number of reflections | 74735 | 3690 |
| <I/σ(I)> | 20.4 | |
| Completeness [%] | 100.0 | |
| Redundancy | 12 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | PEG 300 Bis-Tris buffer Calcium acetate |
