5H7X
Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with 2-hydroxy-1,2,3-propane tricarboxylate at 1.76 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 | 2016-09-22 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.262, 109.389, 121.275 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.610 - 1.760 |
| R-factor | 0.20978 |
| Rwork | 0.209 |
| R-free | 0.25634 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h1t |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.959 |
| 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] | 40.610 | 1.790 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Number of reflections | 103655 | |
| <I/σ(I)> | 10.5 | |
| Completeness [%] | 99.7 | 95.5 |
| Redundancy | 5.4 | 3.2 |
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 |
