7VX6
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 | 2014-06-04 |
| Detector | RIGAKU RAXIS VII |
| Wavelength(s) | 1.5418 |
| Spacegroup name | H 3 |
| Unit cell lengths | 75.240, 75.240, 119.600 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.120 - 1.700 |
| R-factor | 0.1615 |
| Rwork | 0.142 |
| R-free | 0.16700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7vvi |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.887 |
| Data reduction software | iMOSFLM (1.0) |
| Data scaling software | CrystalClear |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.120 | 1.761 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 27801 | 2786 |
| <I/σ(I)> | 88.71 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9.4 | 9.1 |
| CC(1/2) | 0.750 | 0.650 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 1.60 M LiSO4, 0.1 M HEPES-Na (pH7.5), Meropenem |
