6V1O
Structure of OXA-48 bound to QPX7728 at 1.80 A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-11-27 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9791 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.440, 105.550, 94.403 |
Unit cell angles | 90.00, 107.92, 90.00 |
Refinement procedure
Resolution | 38.850 - 1.800 |
R-factor | 0.1596 |
Rwork | 0.158 |
R-free | 0.22380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hbr |
Data reduction software | iMOSFLM (7.2.2) |
Data scaling software | Aimless (0.7.3) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.200 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.175 | 0.960 |
Total number of observations | 17432 | |
Number of reflections | 98181 | 4776 |
<I/σ(I)> | 7.5 | 1.6 |
Completeness [%] | 97.6 | 95.4 |
Redundancy | 3.8 | 3.6 |
CC(1/2) | 0.984 | 0.516 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 0.2 M Magnesium chloride, 0.1 M Tris-HCl pH 8.5, 30% (w/v) PEG4000 |