8QNZ
Crystal Structure of a Class D Carbapenemase Complexed with Hydrolyzed Imipenem
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-12-14 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.918381 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 81.310, 105.965, 124.679 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 62.417 - 1.530 |
Rwork | 0.146 |
R-free | 0.19880 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.474 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 80.740 | 1.560 |
High resolution limit [Å] | 1.530 | 1.530 |
Number of reflections | 159414 | 7727 |
<I/σ(I)> | 12 | 1.1 |
Completeness [%] | 98.3 | |
Redundancy | 13.6 | |
CC(1/2) | 0.999 | 0.620 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | HEPES pH 7.5 no Cl-, 11.6% PEG8000, 8% 1-BuOH mixed with the 10 mg/mL protein stock at 1:1 ratio. |