6IOX
Crystal structure of Porphyromonas gingivalis phosphotransacetylase in complex with acetyl-CoA
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 | 2018-05-28 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 95.693, 130.023, 52.602 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.450 - 2.040 |
| R-factor | 0.19868 |
| Rwork | 0.197 |
| R-free | 0.23769 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2af4 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.523 |
| Data reduction software | DIALS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.450 | 2.070 |
| High resolution limit [Å] | 2.040 | 2.040 |
| Rmerge | 0.092 | 0.227 |
| Number of reflections | 42700 | 2061 |
| <I/σ(I)> | 16.93 | 5.5 |
| Completeness [%] | 100.0 | 99.1 |
| Redundancy | 12.6 | 11.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20% (w/v) polyethylene glycol (PEG) 3350 and 0.2 M ammonium tartrate dibasic |
