6Y6J
VIM-2 in Complex with Biapenem Imine and Enamine Hydrolysis Products
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-14 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9159 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 64.324, 74.020, 78.354 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.610 - 1.500 |
| R-factor | 0.1302 |
| Rwork | 0.129 |
| R-free | 0.15730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bz3 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER (2.7.16) |
| Refinement software | PHENIX (1.17) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.610 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.106 | 0.323 |
| Rmeas | 0.110 | 0.337 |
| Rpim | 0.030 | 0.095 |
| Number of reflections | 30180 | 2951 |
| <I/σ(I)> | 14.6 | 6.6 |
| Completeness [%] | 99.6 | 98.96 |
| Redundancy | 13.3 | 12.35 |
| CC(1/2) | 0.998 | 0.975 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 30% w/v PEG 8000, 0.2M magnesium chloride, 0.1M TRIS pH 7.0 |
