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 |