9IYG
Structure of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter spp. with the 17-mer expression tag bound in the substrate binding site of a neighbouring molecule at 2.60 A resolution.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-07-28 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 0.8731 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 138.271, 79.846, 107.541 |
| Unit cell angles | 90.00, 93.35, 90.00 |
Refinement procedure
| Resolution | 59.736 - 2.600 |
| Rwork | 0.227 |
| R-free | 0.27020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.418 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.120 | 2.720 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.167 | 1.059 |
| Rpim | 0.162 | 1.010 |
| Number of reflections | 35497 | 3834 |
| <I/σ(I)> | 3.8 | 0.7 |
| Completeness [%] | 98.1 | 87.6 |
| Redundancy | 3.3 | |
| CC(1/2) | 0.925 | 0.440 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | BIS-TRIS propane pH 7.0, Sodium citrate tribasic dihydrate |
