7MOL
Crystal Structure of Arabidopsis thaliana Plant and Fungi Atypical Dual Specificity Phosphatase 1(AtPFA-DSP1 ) in complex with phosphate in conformation B (Pi(B))
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 | PIXEL |
| Collection date | 2020-11-06 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 124.343, 124.343, 124.343 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.350 - 1.900 |
| R-factor | 0.1167 |
| Rwork | 0.115 |
| R-free | 0.15730 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.662 |
| 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 |
| Rmerge | 0.940 | |
| Rmeas | 0.097 | |
| Number of reflections | 50701 | 2516 |
| <I/σ(I)> | 27.5 | 2.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 11.3 |
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 at 298K (3 ul of 4.5 mg/ml protein plus 1 ul of well buffer in the crystallization drop). |
