7QFB
Crystal structure of Protein Phosphatase 1 in complex with PP1-binding peptide from PTG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 11.2C |
| Synchrotron site | ELETTRA |
| Beamline | 11.2C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-05-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9999 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 66.382, 68.338, 119.780 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.890 - 2.050 |
| R-factor | 0.1609 |
| Rwork | 0.159 |
| R-free | 0.19140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6zeg |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.920 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 68.340 | 68.340 | 2.110 |
| High resolution limit [Å] | 2.050 | 8.940 | 2.050 |
| Rmerge | 0.195 | 0.078 | 1.522 |
| Rmeas | 0.202 | 0.082 | 1.579 |
| Rpim | 0.053 | 0.023 | 0.415 |
| Total number of observations | 499594 | 5550 | 38542 |
| Number of reflections | 35005 | 508 | 2696 |
| <I/σ(I)> | 10 | 23.5 | 2.1 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 14.3 | 10.9 | 14.3 |
| CC(1/2) | 0.997 | 0.997 | 0.737 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1.6 M Lithium sulfate, 1.4 M sodium malonate |
