6ZRI
Crystal structure of OXA-10loop24 in complex with meropenem
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9393 |
| Spacegroup name | P 32 |
| Unit cell lengths | 80.640, 80.640, 152.290 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.660 - 1.600 |
| R-factor | 0.1705 |
| Rwork | 0.169 |
| R-free | 0.20710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qnb |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.900 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.470 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.080 | 0.524 |
| Rmeas | 0.098 | 0.641 |
| Rpim | 0.055 | 0.363 |
| Number of reflections | 146174 | 21384 |
| <I/σ(I)> | 8 | 2.1 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.1 | 3.1 |
| CC(1/2) | 0.995 | 0.701 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 2.6 - 3 M ammonium sulfate and 100 mM TRIS, pH 8 |
