9WF5

FXR with SRC1 and TERN-101

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-08-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97854
Spacegroup name	P 2 21 21
Unit cell lengths	37.352, 98.423, 129.657
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	78.390 - 2.950
R-factor	0.25807
Rwork	0.257
R-free	0.27472
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.390	3.130
High resolution limit [Å]	2.950	2.950
Rmerge	0.100	0.434
Rmeas	0.104
Rpim	0.030	0.129
Number of reflections	10694	1682
<I/σ(I)>	17.8
Completeness [%]	100.0
Redundancy	11.7
CC(1/2)	0.998	0.957

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.1 M Potassium thiocyanate, 30% w/v Polyethylene glycol monomethyl ether 2,000