6P97
OXA-48 carbapanemase, imipenem 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 | 2018-11-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.131, 76.210, 101.130 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.105 - 1.800 |
R-factor | 0.1737 |
Rwork | 0.172 |
R-free | 0.20260 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.105 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 52357 | 3011 |
<I/σ(I)> | 10.9 | 1.9 |
Completeness [%] | 99.8 | |
Redundancy | 7.3 |
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 |