8I8J
Crystal structure of the ternary complex of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter sp. with Coenzyme-A and Phosphonoacetic acid at 2.07 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 | 137.966, 78.659, 107.027 |
Unit cell angles | 90.00, 93.12, 90.00 |
Refinement procedure
Resolution | 41.546 - 2.070 |
Rwork | 0.225 |
R-free | 0.27660 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 1.253 |
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] | 41.550 | 2.130 |
High resolution limit [Å] | 2.070 | 2.070 |
Number of reflections | 68615 | 4890 |
<I/σ(I)> | 3.1 | |
Completeness [%] | 96.8 | |
Redundancy | 2.1 | |
CC(1/2) | 0.989 | 0.182 |
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 |