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 |