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 |