5YH7
Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Coenzyme A at 2.0 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-09-03 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9724 |
| Spacegroup name | F 41 3 2 |
| Unit cell lengths | 216.930, 216.930, 216.930 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 125.240 - 2.030 |
| R-factor | 0.19896 |
| Rwork | 0.198 |
| R-free | 0.21497 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h1t |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.813 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 125.240 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 24872 | |
| <I/σ(I)> | 16 | 1.7 |
| Completeness [%] | 88.1 | 99.4 |
| Redundancy | 8.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 1M LITHIUM SULPHATE, 0.5M AMMONIUM SULPHATE, 0.1M SODIUM CITRATE, PH- 5.6 |
