6EU9

Crystal structure of Platynereis dumerilii RAR ligand-binding domain in complex with all-trans retinoic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-05-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	187.410, 68.150, 95.080
Unit cell angles	90.00, 100.75, 90.00

Refinement procedure

Resolution	50.000 - 2.690
R-factor	0.2573
Rwork	0.255
R-free	0.29970
RMSD bond length	0.019
RMSD bond angle	2.230
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	MoRDa
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	46.705	2.780
High resolution limit [Å]	2.690	10.420	2.690
Rmerge		0.026	0.589
Rmeas	0.064	0.032	0.697
Rpim	0.035	0.018	0.369
Number of reflections	32596	593	3225
<I/σ(I)>	17.6	12.1	1.3
Completeness [%]	98.8	97.1	99.7
Redundancy	3.2	3	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M sodium acetate, 0.1 M HEPES pH 7.5, 20% PEG 3000