7RPB
X-ray crystal structure of OXA-24/40 V130D in complex with meropenem
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 | 102.391, 102.391, 85.647 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 102.390 - 1.970 |
| R-factor | 0.2002 |
| Rwork | 0.199 |
| R-free | 0.22920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pae |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.924 |
| Data reduction software | AutoProcess |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 102.391 | 102.391 | 1.979 |
| High resolution limit [Å] | 1.970 | 9.151 | 1.970 |
| Rmerge | 0.140 | 0.057 | 1.169 |
| Rmeas | 0.151 | 0.061 | 1.260 |
| Rpim | 0.054 | 0.022 | 0.461 |
| Total number of observations | 2028 | 2196 | |
| Number of reflections | 29280 | 348 | 307 |
| <I/σ(I)> | 12 | 24.6 | 2.2 |
| Completeness [%] | 89.4 | 84.7 | 92.5 |
| Redundancy | 7.2 | 5.8 | 7.2 |
| CC(1/2) | 0.997 | 0.999 | 0.602 |
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 |
