7MOG
Crystal Structure of Arabidopsis thaliana Plant and Fungi Atypical Dual Specificity Phosphatase 1(AtPFA-DSP1 ) Cys150Ser in complex with 5-PCF2 Am-InsP5, an analogue of 5-InsP7
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-02-22 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 1 |
Spacegroup name | P 21 3 |
Unit cell lengths | 124.654, 124.654, 124.654 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.610 - 1.800 |
R-factor | 0.1203 |
Rwork | 0.119 |
R-free | 0.14700 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.012 |
RMSD bond angle | 1.765 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmeas | 0.084 | 0.853 |
Number of reflections | 59897 | 2925 |
<I/σ(I)> | 23.5 | 3.2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 8.2 | 8.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 298 | 0.4 M NaCl, 100 mM HEPES pH 7.2, 50 mM beta-mercaptoethanol at 298K (3 ul of 5.5 mg/ml protein plus 1 ul of well buffer in the crystallization drop). The formed crystal was soaked in 30% PEG400, 13mM MgCl2, 33mM NaF, 50 mM beta-mercaptoethanol, 66 mM HEPES, pH 7.2, and 2 mM 5-PCF2Am-InsP5 for 3 days. |