6L6L

Structural basis of NR4A2 homodimers binding to selective Nur-responsive elements

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97915
Spacegroup name	P 1 21 1
Unit cell lengths	42.405, 64.315, 60.776
Unit cell angles	90.00, 96.84, 90.00

Refinement procedure

Resolution	35.226 - 2.781
R-factor	0.2199
Rwork	0.216
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cit
RMSD bond length	0.004
RMSD bond angle	0.751
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.230	2.880
High resolution limit [Å]	2.781	2.781
Rmerge	0.116	0.374
Rmeas	0.138
Number of reflections	8163	737
<I/σ(I)>	6.69	2.01
Completeness [%]	98.7	89.99
Redundancy	3.3	3
CC(1/2)	0.993	0.885

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	50 mM Na acetate (pH 4.7), 200 mM NaCl, 10 mM MgCl2, 5 mM Li2SO4, 5 mM DTT, and 15-19% PEG4K (w/v)