5VB6

X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with an inverse agonist and SRC2 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-12-15
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0
Spacegroup name	P 41 21 2
Unit cell lengths	62.305, 62.305, 154.178
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.646 - 2.041
R-factor	0.1876
Rwork	0.187
R-free	0.20750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.621
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.090	2.050
High resolution limit [Å]	2.040	2.040
Rmerge	0.086	1.202
Number of reflections	20213
<I/σ(I)>	25	2.2
Completeness [%]	100.0	100
Redundancy	12.9	12.6
CC(1/2)	1.000	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	PEG 4000 (2-8%), NACL 0.5M, PIPES (0.1M)