7MOJ
Crystal Structure of Arabidopsis thaliana Plant and Fungi Atypical Dual Specificity Phosphatase 1(AtPFA-DSP1 ) Cys150Ser in complex with a metaphosphate intermediate
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 | 2017-11-16 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 1 |
Spacegroup name | P 21 3 |
Unit cell lengths | 125.152, 125.152, 125.152 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.760 - 1.900 |
R-factor | 0.1159 |
Rwork | 0.114 |
R-free | 0.14780 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.009 |
RMSD bond angle | 1.520 |
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 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmeas | 0.074 | 0.871 |
Number of reflections | 51688 | 2531 |
<I/σ(I)> | 27.8 | 2.7 |
Completeness [%] | 100.0 | |
Redundancy | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 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 5 mM 5-InsP7 for 2 days, and transferred into pH 10.0, 50 mM CHES for 1 hour. |