8DWL
Inhibitor-3:PP1 coexpressed complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-10-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 90.343, 90.343, 196.332 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.920 - 2.000 |
R-factor | 0.2139 |
Rwork | 0.213 |
R-free | 0.23720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4mov |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.570 | 39.570 | 2.050 |
High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
Rmerge | 0.134 | 0.061 | 3.065 |
Rmeas | 0.143 | 0.066 | 3.486 |
Rpim | 0.050 | 0.024 | 1.626 |
Total number of observations | 446561 | 5308 | 16421 |
Number of reflections | 55726 | 742 | 3892 |
<I/σ(I)> | 8.4 | 26.5 | 0.5 |
Completeness [%] | 99.7 | 98.9 | 96.2 |
Redundancy | 8 | 7.2 | 4.2 |
CC(1/2) | 0.996 | 0.993 | 0.342 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | 10% w/v PEG 8000, 20% v/v ethylene glycol, 0.1 M MES/imidazole pH 6.5, 0.03 M magnesium chloride, 0.03 M calcium chloride |