7OK9
Crystal structure of Penicillin-Binding Protein 1 (PBP1) from Staphylococcus aureus in complex with pentaglycine
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 | 2021-02-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97926 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 313.993, 198.186, 220.903 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.320 - 3.360 |
R-factor | 0.232 |
Rwork | 0.230 |
R-free | 0.26690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7o49 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.558 |
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] | 49.321 | 3.756 |
High resolution limit [Å] | 3.357 | 3.357 |
Rmerge | 0.674 | 2.723 |
Rpim | 0.195 | 0.785 |
Number of reflections | 86448 | 4322 |
<I/σ(I)> | 7.5 | |
Completeness [%] | 89.1 | |
Redundancy | 12.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | DL-malic acid |