5YRR
The crystal structure of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Coenzyme A at 2.88 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-09-03 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9724 |
| Spacegroup name | F 41 3 2 |
| Unit cell lengths | 216.260, 216.260, 216.260 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 65.200 - 2.880 |
| R-factor | 0.22839 |
| Rwork | 0.226 |
| R-free | 0.27857 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5yh7 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.443 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.200 | 2.933 |
| High resolution limit [Å] | 2.880 | 2.880 |
| Rmerge | 0.060 | 0.700 |
| Number of reflections | 10184 | 501 |
| <I/σ(I)> | 13.1 | |
| Completeness [%] | 99.2 | |
| Redundancy | 6.2 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 1M LITHIUM SULPHATE, 0.5M AMMONIUM SULPHATE, 0.1M SODIUM CITRATE, pH 5.6 |
