8I8L
Crystal structure of the ternary complex of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter sp. with Coenzyme-A and Phosphonoacetic acid at 2.23 A resolution.
Experimental 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 | 137.925, 78.622, 106.985 |
| Unit cell angles | 90.00, 93.12, 90.00 |
Refinement procedure
| Resolution | 42.632 - 2.230 |
| Rwork | 0.217 |
| R-free | 0.26140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.391 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.670 | 2.290 |
| High resolution limit [Å] | 2.230 | 2.230 |
| Number of reflections | 53574 | 5349 |
| <I/σ(I)> | 5.2 | |
| Completeness [%] | 96.4 | |
| Redundancy | 2.1 | |
| CC(1/2) | 0.982 | 0.439 |
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 |
