6ALZ
Crystal structure of Protein Phosphatase 1 bound to the natural inhibitor Tautomycetin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-02-04 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.199, 78.855, 133.779 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.816 - 2.208 |
R-factor | 0.1858 |
Rwork | 0.184 |
R-free | 0.21580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4mov |
RMSD bond length | 0.002 |
RMSD bond angle | 0.562 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.17) |
Phasing software | PHASER (1.11.1) |
Refinement software | PHENIX ((1.11.1_2575)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.822 | 2.270 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.118 | 0.814 |
Rmeas | 0.127 | 0.927 |
Rpim | 0.047 | 0.427 |
Number of reflections | 35351 | 2260 |
<I/σ(I)> | 8.9 | |
Completeness [%] | 97.5 | 72.9 |
Redundancy | 7 | 4.2 |
CC(1/2) | 0.996 | 0.503 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 20% PEG 6000, 1 M lithium chloride, 0.1 M Tris pH 8.0 |