9U54
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 2.10 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 | 137.308, 78.676, 106.797 |
| Unit cell angles | 90.00, 93.25, 90.00 |
Refinement procedure
| Resolution | 43.325 - 2.101 |
| Rwork | 0.224 |
| R-free | 0.27750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.410 |
| 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] | 49.290 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.115 | 1.438 |
| Rpim | 0.109 | 1.350 |
| Number of reflections | 65468 | 4023 |
| <I/σ(I)> | 6.2 | 0.6 |
| Completeness [%] | 98.7 | |
| Redundancy | 3.4 | |
| CC(1/2) | 0.995 | 0.268 |
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 |
