5VB5

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 X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-11-03
Detector	PSI PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 41 21 2
Unit cell lengths	60.468, 60.468, 154.997
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.280 - 2.226
R-factor	0.1952
Rwork	0.193
R-free	0.23440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.534
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]	155.000	2.233
High resolution limit [Å]	2.226	2.226
Rmerge	0.099	1.490
Number of reflections	14904
<I/σ(I)>	15.4	2.4
Completeness [%]	100.0	100
Redundancy	12.3	11.9
CC(1/2)	1.000	0.900

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)