8ZN3
Structure of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter sp. with the expression tag bound in the substrate binding site of a neighbouring molecule at 2.41 A resolution.
Replaces: 8I8OExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-09-24 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.8731 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 137.692, 78.682, 106.902 |
| Unit cell angles | 90.00, 93.08, 90.00 |
Refinement procedure
| Resolution | 106.748 - 2.410 |
| Rwork | 0.209 |
| R-free | 0.26270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.375 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 106.750 | 2.500 |
| High resolution limit [Å] | 2.410 | 2.410 |
| Rmerge | 0.194 | 1.019 |
| Number of reflections | 41591 | 4006 |
| <I/σ(I)> | 4.8 | 1.1 |
| Completeness [%] | 94.4 | 87.4 |
| Redundancy | 2.2 | 2.2 |
| CC(1/2) | 0.975 | 0.391 |
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 |
