7SHJ
Crystal structure of Acinetobacter baumannii ZnuA in the metal-free state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-03-14 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.954 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.519, 45.606, 97.659 |
| Unit cell angles | 90.00, 97.07, 90.00 |
Refinement procedure
| Resolution | 45.550 - 2.130 |
| R-factor | 0.2314 |
| Rwork | 0.230 |
| R-free | 0.25310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | model generated by alphaFold2 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.813 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.550 | 2.210 |
| High resolution limit [Å] | 2.130 | 2.130 |
| Rmerge | 0.050 | 0.510 |
| Number of reflections | 27410 | 2701 |
| <I/σ(I)> | 9 | |
| Completeness [%] | 99.6 | |
| Redundancy | 2 | |
| CC(1/2) | 0.990 | 0.570 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M cirtate pH 7.0, 30% (v/v) polyethylene glycol 6000, and 1 M LiCl |
