6PT1
Crystal Structure of Class D Beta-lactamase OXA-48 with Meropenem
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 | 2017-10-26 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.797, 106.512, 95.835 |
Unit cell angles | 90.00, 104.66, 90.00 |
Refinement procedure
Resolution | 30.994 - 2.000 |
R-factor | 0.1881 |
Rwork | 0.187 |
R-free | 0.23120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hbr |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.6.0) |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.030 |
High resolution limit [Å] | 1.998 | 5.430 | 2.000 |
Rmerge | 0.082 | 0.037 | 0.707 |
Rmeas | 0.097 | 0.044 | 0.838 |
Rpim | 0.051 | 0.023 | 0.446 |
Number of reflections | 78000 | 3972 | 3855 |
<I/σ(I)> | 9 | ||
Completeness [%] | 99.6 | 98.9 | 99.7 |
Redundancy | 3.6 | 3.6 | 3.4 |
CC(1/2) | 0.997 | 0.762 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M Ammonium Acetate, 0.1 M Sodium Acetate pH-4.6, 30%(w/v) PEG-4000 |