7YFK

The structure of human pregnane X receptor in complex with an SRC-1 coactivator peptide and a limonoid compound, nomilin

Replaces:  7CHG

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	2018-06-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9789
Spacegroup name	P 21 21 21
Unit cell lengths	84.986, 90.163, 106.391
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.300 - 2.100
Rwork	0.194
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5x0r
Data reduction software	XDS
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.300	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.054
Number of reflections	48171	4750
<I/σ(I)>	19.68	2.3
Completeness [%]	99.0
Redundancy	6.6
CC(1/2)	0.999	0.809

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	8	277.15	10% (v/v) 2-propanol, 100 mM Imidazole/ Hydrochloric acid, pH 8.0