6P99
OXA-48 carbapanemase, ertapenem 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 | 2019-02-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 71.883, 76.822, 101.247 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.411 - 2.250 |
R-factor | 0.2015 |
Rwork | 0.198 |
R-free | 0.25680 |
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] | 38.411 | 2.320 |
High resolution limit [Å] | 2.250 | 2.250 |
Number of reflections | 27260 | 2443 |
<I/σ(I)> | 10.5 | 1.4 |
Completeness [%] | 99.9 | |
Redundancy | 7.2 |
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 |