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 |