4Y2E
Crystal structure of the catalytic domain of human dual-specificity phosphatase 7 (C232S)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-06-06 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.549, 64.458, 74.333 |
| Unit cell angles | 90.00, 91.68, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.670 |
| R-factor | 0.15702 |
| Rwork | 0.155 |
| R-free | 0.18880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lj8 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.341 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0104) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.700 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Rmerge | 0.109 | |
| Number of reflections | 70511 | |
| <I/σ(I)> | 14 | 2.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 292 | 0.1M Hepes,MOPS pH 7.5, 0.009 nitrate-sulfate-phosphate mixture, 37.5% v/v MPD-PEG1000-PEG3350; Morpheus Crystallization screen #32 |
