3PAE
Crystal structure of the K84D mutant of OXA-24/40 in complex with doripenem
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 | 2009-03-14 |
Detector | MARMOSAIC 300 mm CCD |
Spacegroup name | P 41 |
Unit cell lengths | 102.334, 102.334, 85.450 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.680 - 2.100 |
R-factor | 0.191 |
Rwork | 0.189 |
R-free | 0.23100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2jc7 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.522 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 50780 | |
Completeness [%] | 98.8 | 94.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 298 | 100 mM TRIS-HCl, 2.0 M ammonium sulfate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |