5OJ0
Penicillin-Binding Protein 2X (PBP2X) from Streptococcus pneumoniae in complex with Cefepime
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 |
| Wavelength(s) | 0.97947 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 99.547, 99.547, 189.660 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.240 - 2.660 |
| R-factor | 0.17477 |
| Rwork | 0.172 |
| R-free | 0.23143 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k25 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.013 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.240 | 2.760 |
| High resolution limit [Å] | 2.660 | 2.660 |
| Rmerge | 0.160 | 0.800 |
| Rpim | 0.120 | 0.690 |
| Number of reflections | 31872 | |
| <I/σ(I)> | 5.7 | |
| Completeness [%] | 99.6 | 99.6 |
| Redundancy | 4.2 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 290 | 2.3-3.0 M NaCl, 0.1 M sodium acetate pH 4.5 |
