6SSQ

Crystal structure of RARbeta LBD in complex with LG 100754

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-05-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.001700
Spacegroup name	P 21 21 21
Unit cell lengths	58.209, 85.296, 109.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	67.240 - 2.300
Rwork	0.162
R-free	0.20810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jyi
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.240	2.382
High resolution limit [Å]	2.300	2.300
Number of reflections	24860	2449
<I/σ(I)>	46.49
Completeness [%]	99.9
Redundancy	11.5
CC(1/2)	0.713	0.435

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	200 mM Tri Sodium Citrate pH 5.5, 25 % PEG 4000