5VQK

X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with a 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	2011-06-23
Detector	PSI PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 41 21 2
Unit cell lengths	64.725, 64.725, 159.322
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 3.100
R-factor	0.196
Rwork	0.194
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.980
Data reduction software	d*TREK (9.9.8.8L)
Data scaling software	d*TREK (9.9.8.8L)
Phasing software	PHENIX (1.7_650)
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.770	3.210
High resolution limit [Å]	3.100	3.100
Rmerge	0.110	0.635
Number of reflections	6633	636
<I/σ(I)>	11.9	2.9
Completeness [%]	99.9	99.69
Redundancy	11.3	12.1

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), PH 7.0