6A75
Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 2.75 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 | 2018-05-19 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.9677 |
| Spacegroup name | F 41 3 2 |
| Unit cell lengths | 216.883, 216.883, 216.883 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.500 - 2.750 |
| R-factor | 0.18323 |
| Rwork | 0.181 |
| R-free | 0.22680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5yh7 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.941 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.500 | 2.820 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmeas | 0.140 | 0.470 |
| Number of reflections | 11866 | 810 |
| <I/σ(I)> | 15.04 | 8.05 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 20 | 15 |
| CC(1/2) | 0.990 | 0.980 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 1M LITHIUM SULPHATE, 0.5M AMMONIUM SULPHATE, 0.1M SODIUM CITRATE, PH 5.6 |
