9IYE
Structure of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter spp. with the expression tag bound in the substrate binding site of a neighbouring molecule at 2.39 A resolution.
Replaces: 8I8KExperimental 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 | 137.919, 78.618, 106.981 |
Unit cell angles | 90.00, 93.12, 90.00 |
Refinement procedure
Resolution | 42.666 - 2.390 |
Rwork | 0.222 |
R-free | 0.24050 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.390 |
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] | 56.490 | 2.480 |
High resolution limit [Å] | 2.390 | 2.390 |
Rmerge | 0.118 | 0.570 |
Rpim | 0.118 | 0.568 |
Number of reflections | 43366 | 4653 |
<I/σ(I)> | 5.3 | 1.8 |
Completeness [%] | 96.0 | 97.8 |
Redundancy | 2.1 | 2.1 |
CC(1/2) | 0.981 | 0.594 |
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 |