5VB3

X-ray structure of nuclear receptor ROR-gammat Ligand Binding Domain + 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	2012-11-29
Detector	PSI PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 41 21 2
Unit cell lengths	61.272, 61.272, 154.226
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.326 - 1.950
R-factor	0.1974
Rwork	0.196
R-free	0.22980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.731
Data reduction software	d*TREK (9.9.9.4L)
Data scaling software	d*TREK
Phasing software	PHENIX (1.8.2_1309)
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.330	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.074	0.593
Number of reflections	21942
<I/σ(I)>	14.4	3.2
Completeness [%]	98.5	98
Redundancy	11.8	12.56

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)