6PSG
Crystal Structure of Class D Beta-lactamase OXA-48 with Faropenem
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-07-29 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.555, 106.674, 96.261 |
Unit cell angles | 90.00, 104.19, 90.00 |
Refinement procedure
Resolution | 35.119 - 2.130 |
R-factor | 0.1727 |
Rwork | 0.171 |
R-free | 0.21980 |
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 | 2.170 |
High resolution limit [Å] | 2.121 | 5.780 | 2.130 |
Rmerge | 0.078 | 0.051 | 0.368 |
Rmeas | 0.092 | 0.061 | 0.448 |
Rpim | 0.049 | 0.032 | 0.252 |
Number of reflections | 64811 | 3364 | 2928 |
<I/σ(I)> | 6.5 | ||
Completeness [%] | 98.8 | 99.4 | 90.9 |
Redundancy | 3.5 | 3.7 | 2.7 |
CC(1/2) | 0.995 | 0.920 |
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 |