7O4A
Crystal structure of Penicillin-Binding Protein 1 (PBP1) from Staphylococcus aureus in complex with piperacillin
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 | 2019-06-21 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97925 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 178.688, 178.688, 223.652 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.394 - 3.028 |
Rwork | 0.212 |
R-free | 0.27780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5tro |
RMSD bond length | 0.007 |
RMSD bond angle | 1.543 |
Data reduction software | XDS |
Data scaling software | STARANISO |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.397 | 3.306 |
High resolution limit [Å] | 3.028 | 3.028 |
Rmerge | 0.328 | 2.930 |
Rpim | 0.058 | 0.468 |
Number of reflections | 26360 | 1318 |
<I/σ(I)> | 14.3 | |
Completeness [%] | 95.1 | |
Redundancy | 32.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | D,L-malic acid |