6PK0
Crystal Structure of OXA-48 with Hydrolyzed Imipenem
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-03-02 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.050, 105.430, 93.570 |
| Unit cell angles | 90.00, 107.96, 90.00 |
Refinement procedure
| Resolution | 32.587 - 1.750 |
| R-factor | 0.1615 |
| Rwork | 0.159 |
| R-free | 0.20170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hbr |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER (2.8.2) |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 38.650 | 38.650 | 1.780 |
| High resolution limit [Å] | 1.750 | 9.590 | 1.750 |
| Rmerge | 0.126 | 0.053 | 0.911 |
| Total number of observations | 583373 | 4669 | 25695 |
| Number of reflections | 95960 | 661 | 4451 |
| <I/σ(I)> | 11.1 | 34.1 | 2.1 |
| Completeness [%] | 89.5 | 96.9 | 84.5 |
| Redundancy | 6.1 | 7.1 | 5.8 |
| CC(1/2) | 0.996 | 0.997 | 0.608 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 0.2 M Ammonium Acetate, 0.1 M Sodium Acetate pH 4.6, 30%(w/v) PEG-4000 |
