5OJ1
Penicillin Binding Protein 2x (PBP2x) from S.pneumoniae in complex with Oxacillin and a tetrasaccharide
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 | 2015-09-17 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97497 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 100.839, 100.839, 189.354 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 87.330 - 2.850 |
| R-factor | 0.17027 |
| Rwork | 0.167 |
| R-free | 0.22875 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k25 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.761 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.720 | 3.000 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmerge | 0.192 | 1.700 |
| Rpim | 0.078 | 0.700 |
| Number of reflections | 26783 | |
| <I/σ(I)> | 9.3 | 1.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.9 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 290 | 2.3-3M NaCl, 0.1M Na Acetate pH 4.5 |
