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