4X53
Structure of the class D Beta-Lactamase OXA-160 V130D in Acyl-Enzyme Complex with Aztreonam
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-06 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0782 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 102.452, 102.452, 87.217 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 72.440 - 2.300 |
| R-factor | 0.19354 |
| Rwork | 0.192 |
| R-free | 0.22809 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pae |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.948 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 102.500 | 2.309 |
| High resolution limit [Å] | 2.300 | 2.302 |
| Rmerge | 0.077 | 0.614 |
| Number of reflections | 21201 | |
| <I/σ(I)> | 21 | 3.5 |
| Completeness [%] | 100.0 | 99.5 |
| Redundancy | 8 | 8.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1 M HEPES sodium, 2% v/v polyethylene glycol 400, 2.0 M ammonium sulfate, pH 7.5 |
