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 |
