7ZG8
Crystal structure of A. baumannii penicillin-binding protein 2
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-10 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 121.249, 151.030, 177.369 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.334 - 2.650 |
| Rwork | 0.211 |
| R-free | 0.25230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5lp4 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.525 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.340 | 2.740 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.203 | 1.108 |
| Rmeas | 0.213 | 1.167 |
| Rpim | 0.065 | 0.360 |
| Number of reflections | 46823 | 4576 |
| <I/σ(I)> | 9 | 2 |
| Completeness [%] | 98.7 | 99.4 |
| Redundancy | 9.7 | 9.7 |
| CC(1/2) | 0.994 | 0.754 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 291 | 0.1M Na2HPO4 adjusted to pH 4.2 with citric acid, 16% (v/v) ethanol, and 5% (w/v) PEG 1000 |
