6DGU
PER-2 class A extended-spectrum beta-lactamase crystal structure at 2.69 Angstrom resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-11 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.980100 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 82.370, 82.580, 174.920 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.290 - 2.691 |
R-factor | 0.2713 |
Rwork | 0.267 |
R-free | 0.33960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4d2o |
RMSD bond length | 0.010 |
RMSD bond angle | 1.357 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX (1.12-2829) |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.290 | 2.850 |
High resolution limit [Å] | 2.691 | 2.691 |
Rmerge | 0.164 | 0.450 |
Rmeas | 0.180 | 0.500 |
Number of reflections | 32951 | 4944 |
<I/σ(I)> | 9.74 | 3.63 |
Completeness [%] | 97.3 | 91.4 |
Redundancy | 5.46 | 5.46 |
CC(1/2) | 0.987 | 0.780 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 294 | 20% PEG 6000, 0.05 M imidazole pH=8.0 |