5Z1M
Crystal structure of the complex of trimeric Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with citrate ion at 1.87 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-05 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.96600 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 76.250, 118.820, 109.260 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.600 - 1.870 |
| R-factor | 0.18802 |
| Rwork | 0.186 |
| R-free | 0.23690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5h7x |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.329 |
| Data reduction software | XDS |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.600 | 1.897 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rmerge | 0.041 | 0.800 |
| Number of reflections | 41511 | 2056 |
| <I/σ(I)> | 20.8 | 2.2 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 5.7 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1M HEPES Na pH 7.5, 1.0M Na citrate tribasic dihydrate |
