5IJJ
Structure of the SPX domain of Chaetomium thermophilum Glycerophosphodiester Phosphodiesterase 1 in complex with inositol hexakisphosphate (InsP6)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-05-05 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.000000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 89.363, 53.366, 94.314 |
| Unit cell angles | 90.00, 113.42, 90.00 |
Refinement procedure
| Resolution | 19.590 - 1.950 |
| R-factor | 0.20421 |
| Rwork | 0.202 |
| R-free | 0.25089 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5iig |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.229 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 28959 | |
| <I/σ(I)> | 20.5 | 2.28 |
| Completeness [%] | 97.0 | 82.8 |
| Redundancy | 6.7 | 6.5 |
| CC(1/2) | 1.000 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 25% PEG 3350, 0.1M ammonium acetate, 0.1M BisTris |
