5H16
Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with citrate at 2.3 A resolution.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-06-28 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.590, 109.813, 121.797 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 81.560 - 2.300 |
| R-factor | 0.26212 |
| Rwork | 0.261 |
| R-free | 0.30226 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h1t |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.799 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 81.560 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 46855 | |
| <I/σ(I)> | 10 | 0.7 |
| Completeness [%] | 99.2 | 99.2 |
| Redundancy | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1M HEPES Na pH 7.5, 1.0M Na citrate tribasic dihydrate. |
