5YOL
Crystal structure of octameric form of Nucleoside diphosphate kinase from Acinetobacter baumannii at 2.2 A 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 | 2017-07-05 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.96600 |
| Spacegroup name | P 1 |
| Unit cell lengths | 70.100, 69.930, 71.700 |
| Unit cell angles | 80.51, 69.94, 89.76 |
Refinement procedure
| Resolution | 66.322 - 2.200 |
| R-factor | 0.21502 |
| Rwork | 0.213 |
| R-free | 0.25760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4s0m |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.624 |
| Data reduction software | XDS |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.322 | 2.239 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.051 | 0.375 |
| Number of reflections | 56966 | 2842 |
| <I/σ(I)> | 8.9 | 2.1 |
| Completeness [%] | 89.3 | 89.1 |
| Redundancy | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | HEPES: 7.5, PEG400, 0.1MgCl2 |
