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 |