6JNH
Crystal structure of the complex of Phosphopantetheine adenylyltransferasefrom Acinetobacter baumannii with Ascorbic acid (Vitamin-C) at 2.0A 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 | 2018-12-01 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.97119 |
| Spacegroup name | F 41 3 2 |
| Unit cell lengths | 216.710, 216.710, 216.710 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 125.120 - 2.000 |
| R-factor | 0.19954 |
| Rwork | 0.199 |
| R-free | 0.21506 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6j3m |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.325 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 125.120 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rpim | 0.040 | 0.886 |
| Number of reflections | 29100 | 1461 |
| <I/σ(I)> | 10.9 | |
| Completeness [%] | 97.7 | 68.6 |
| 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 |
