5OAU
Penicillin-Binding Protein 2X (PBP2X) from Streptococcus pneumoniae
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 | 100.260, 100.260, 189.810 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.780 - 2.670 |
| R-factor | 0.17588 |
| Rwork | 0.173 |
| R-free | 0.22531 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k25 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.742 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.780 | 2.800 |
| High resolution limit [Å] | 2.670 | 2.670 |
| Rmerge | 0.100 | 0.570 |
| Rpim | 0.090 | 0.480 |
| Number of reflections | 31872 | |
| <I/σ(I)> | 7.5 | 1.7 |
| Completeness [%] | 99.3 | 99.1 |
| Redundancy | 3.5 | 3.3 |
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 |
