7PSE
Crystal Structure of a Class D Carbapenemase_K73ALY Complexed with Oxacillin
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-07-07 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.976270 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 44.830, 105.480, 124.960 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 53.760 - 2.320 |
Rwork | 0.235 |
R-free | 0.28860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4s2p |
RMSD bond length | 0.008 |
RMSD bond angle | 1.529 |
Data reduction software | SADABS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.760 | 2.400 |
High resolution limit [Å] | 2.320 | 2.320 |
Number of reflections | 26329 | 2438 |
<I/σ(I)> | 7 | 1 |
Completeness [%] | 99.3 | |
Redundancy | 10.9 | |
CC(1/2) | 0.996 | 0.566 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 0.1M HEPES pH 7.5, 11.6% PEG8000, 8% 1-BuOH, mixed with the 10 mg/mL protein stock at 1:1 ratio. |