6J3M
Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Pyrophosphate at 2.30A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-12-01 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.97199 |
Spacegroup name | F 41 3 2 |
Unit cell lengths | 216.120, 216.120, 216.120 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 76.410 - 2.300 |
R-factor | 0.1875 |
Rwork | 0.186 |
R-free | 0.21914 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5zzc |
RMSD bond length | 0.015 |
RMSD bond angle | 2.103 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 76.410 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.160 | 0.800 |
Rmeas | 0.160 | |
Number of reflections | 19784 | 1898 |
<I/σ(I)> | 16.6 | 5.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 20 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 1M LITHIUM SULPHATE, 0.5M AMMONIUM SULPHATE, 0.1M SODIUM CITRATE, PH 5.6 |