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 |