6P98
OXA-48 carbapanemase, meropenem complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-21 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 73.132, 74.563, 97.974 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.566 - 1.750 |
R-factor | 0.1902 |
Rwork | 0.189 |
R-free | 0.22040 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.600 | 1.780 |
High resolution limit [Å] | 1.750 | 1.750 |
Number of reflections | 53334 | 2896 |
<I/σ(I)> | 13.3 | 1.9 |
Completeness [%] | 97.8 | |
Redundancy | 10.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 5 mM Ca2+, 5 mM Co2+, 5 mM Cd2+, 20% PEG 3350 |