4JFX
Structure of phosphotyrosine (pTyr) scaffold bound to pTyr peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-31 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.11587 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 152.854, 152.854, 85.294 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.156 - 1.950 |
| R-factor | 0.1648 |
| Rwork | 0.163 |
| R-free | 0.20180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.196 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 4.200 | 1.950 |
| Rmerge | 0.097 | 0.033 | 0.668 |
| Number of reflections | 83545 | ||
| <I/σ(I)> | 9.3 | ||
| Completeness [%] | 99.9 | 99.7 | 100 |
| Redundancy | 4.1 | 4 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 278 | 20% PEG3350, 0.2M KCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K |
