7RP9
X-ray crystal structure of OXA-24/40 V130D in complex with imipenem
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 | PIXEL |
| Collection date | 2016-11-12 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.1272 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 102.304, 102.304, 86.921 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 66.240 - 1.940 |
| R-factor | 0.1989 |
| Rwork | 0.197 |
| R-free | 0.22790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pae |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.923 |
| Data reduction software | AutoProcess |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 66.240 | 66.240 | 1.945 |
| High resolution limit [Å] | 1.938 | 8.989 | 1.938 |
| Rmerge | 0.103 | 0.057 | 1.679 |
| Rmeas | 0.111 | 0.062 | 1.804 |
| Rpim | 0.041 | 0.025 | 0.655 |
| Total number of observations | 249722 | 2380 | 2426 |
| Number of reflections | 34803 | 422 | 331 |
| <I/σ(I)> | 13.9 | 28.9 | 1.3 |
| Completeness [%] | 100.0 | 100 | 98.5 |
| Redundancy | 7.2 | 5.6 | 7.3 |
| CC(1/2) | 0.998 | 0.995 | 0.531 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.1 M TRIS HCL, 2.0 M ammonium sulfate |
