7VX3
OXA-58 crystal structure of acylated meropenem complex 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2014-06-05 |
| Detector | RIGAKU RAXIS VII |
| Wavelength(s) | 1.5418 |
| Spacegroup name | H 3 |
| Unit cell lengths | 75.290, 75.290, 119.470 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.620 - 1.800 |
| R-factor | 0.1694 |
| Rwork | 0.146 |
| R-free | 0.16290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7vvi |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.924 |
| Data reduction software | iMOSFLM |
| Data scaling software | iMOSFLM |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.620 | 1.864 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 184659 | 17814 |
| <I/σ(I)> | 65.48 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.9 | 7.6 |
| CC(1/2) | 0.587 | 0.371 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1 M HEPES-Na (pH 7.5), 1.55 M LiSO4, NaCO3 |
