6J3N

RORgammat LBD complexed with Ursonic Acid and SRC2.2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	293
Detector technology	CCD
Collection date	2018-09-27
Detector	RAYONIX MX-225
Wavelength(s)	0.979176
Spacegroup name	P 41 21 2
Unit cell lengths	61.930, 61.930, 155.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.486 - 1.990
R-factor	0.2008
Rwork	0.199
R-free	0.23330
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	CrysalisPro
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.486	2.040
High resolution limit [Å]	1.990	1.990
Number of reflections	21683
<I/σ(I)>	19.6
Completeness [%]	99.9
Redundancy	24.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	20% PEG3350 0.2M CaCl2