5W40
Crystal structure of PopP2 F318S in complex with IP6 and AcCoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-08-31 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9774 |
| Spacegroup name | P 1 |
| Unit cell lengths | 77.777, 78.645, 79.849 |
| Unit cell angles | 103.00, 112.43, 111.85 |
Refinement procedure
| Resolution | 39.260 - 2.530 |
| R-factor | 0.1897 |
| Rwork | 0.188 |
| R-free | 0.23540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5w3y |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.117 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.072 | 0.514 |
| Number of reflections | 50251 | |
| <I/σ(I)> | 11.4 | 1.6 |
| Completeness [%] | 98.7 | 97.5 |
| Redundancy | 2.4 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.1 mM imidazole (pH 8.0), 30% (v/v) PEG8000, 200 mM NaCl and 4% (v/v) isopropanol |
