8SDL
Crystal structure of PDC-3 beta-lactamase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-06-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9201 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.869, 70.991, 106.268 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.960 - 1.750 |
R-factor | 0.1679 |
Rwork | 0.166 |
R-free | 0.20240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3s22 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.374 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.960 | 1.780 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.093 | 0.810 |
Number of reflections | 34712 | 1717 |
<I/σ(I)> | 33.37 | 6.39 |
Completeness [%] | 99.2 | 99.8 |
Redundancy | 12.8 | |
CC(1/2) | 0.996 | 0.960 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 100 mM Imidazole pH 7.0, 2-8% isopropyl alcohol (IPA), and 16-34% PEG 3350. Protein was 10 mg/mL in 10 mM HEPES pH 7.5, 150 mM NaCl and 5% glycerol |