7O5T
Crystal Structure of a Class D Carbapenemase Complexed with Bromide
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 | 2020-12-14 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.918374 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 82.568, 107.263, 124.620 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 81.300 - 1.810 |
Rwork | 0.187 |
R-free | 0.26060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4s2p |
RMSD bond length | 0.010 |
RMSD bond angle | 1.490 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 81.300 | 1.840 |
High resolution limit [Å] | 1.810 | 1.810 |
Number of reflections | 101237 | 4939 |
<I/σ(I)> | 7.4 | 1 |
Completeness [%] | 99.9 | |
Redundancy | 13.3 | |
CC(1/2) | 0.997 | 0.777 |
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. |