6RCY

CRYSTAL STRUCTURE OF FK1 DOMAIN OF FKBP52 IN COMPLEX WITH A BIO-INSPIRED HYBRID FLUORESCENT LIGAND

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-25
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.976
Spacegroup name	P 65 2 2
Unit cell lengths	52.960, 52.960, 237.860
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.030 - 2.300
R-factor	0.22
Rwork	0.218
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1n1a
RMSD bond length	0.009
RMSD bond angle	1.170
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.800	2.400
High resolution limit [Å]	2.300	2.300
Rmeas	0.127	2.405
Number of reflections	9583	1440
<I/σ(I)>	15.6
Completeness [%]	99.6
Redundancy	20.3
CC(1/2)	0.999	0.780

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.8M potassium phosphate, 0.8M sodium phosphate, 0.1M HEPES, pH 7.5