6IOY
Crystal structure of Porphyromonas gingivalis acetate kinase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 95 |
| Detector technology | PIXEL |
| Collection date | 2017-11-18 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.770, 98.472, 102.769 |
| Unit cell angles | 90.00, 91.64, 90.00 |
Refinement procedure
| Resolution | 53.400 - 1.940 |
| R-factor | 0.1907 |
| Rwork | 0.189 |
| R-free | 0.21942 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2iir |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.370 |
| Data reduction software | DIALS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.400 | 1.970 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.093 | 0.240 |
| Number of reflections | 120952 | 5602 |
| <I/σ(I)> | 11.9 | 5.78 |
| Completeness [%] | 99.3 | 92.2 |
| Redundancy | 6.5 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M lithium sulfate monohydrate, 0.1 M Tris/HCl (pH 8.5), and 24% (w/v) PEG 3350 |
