6UD6
Spectroscopic and structural characterization of a genetically encoded direct sensor for protein-ligand interactions
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-05-13 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.000 |
Spacegroup name | I 41 |
Unit cell lengths | 57.519, 57.519, 173.026 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.631 - 1.502 |
R-factor | 0.1736 |
Rwork | 0.173 |
R-free | 0.19040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ry2 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.631 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 44561 | 2228 |
<I/σ(I)> | 14 | 2.1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.5 | |
CC(1/2) | 1.000 | 0.845 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 3.5 | 298 | 500 ul of 0.1 M citric acid, pH 3.5, 3M NaCl in the reservoir with 2 ul of reservoir buffer mixed with 2 ul of 10 mg/ml of protein in the drop. Crystals were soaked to pH 5.5 overnight with 3 exchanges |