5W3Y
Crystal structure of PopP2 C321A in complex with IP6 and AcCoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-08-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9774 |
| Spacegroup name | P 1 |
| Unit cell lengths | 78.385, 79.876, 77.746 |
| Unit cell angles | 112.33, 111.65, 103.39 |
Refinement procedure
| Resolution | 39.085 - 2.200 |
| R-factor | 0.1839 |
| Rwork | 0.183 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5w3t |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.157 |
| 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 | 2.230 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.050 | 0.501 |
| Number of reflections | 77404 | |
| <I/σ(I)> | 9.6 | 1.1 |
| Completeness [%] | 97.7 | 96.5 |
| Redundancy | 1.9 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M HEPES (pH 7.5), 20% (v/v) PEG4000 and 10% (v/v) glycerol |
