7LEM

Crystal structure of the first bromodomain (BD1) of human BRDT bound to LRRK2-IN-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9700
Spacegroup name	P 1 21 1
Unit cell lengths	69.220, 30.020, 72.840
Unit cell angles	90.00, 104.56, 90.00

Refinement procedure

Resolution	35.250 - 1.890
R-factor	0.2027
Rwork	0.200
R-free	0.24740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7l73
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.250	35.250	1.940
High resolution limit [Å]	1.890	8.450	1.890
Rmerge	0.043	0.016	0.509
Rmeas	0.051	0.020	0.599
Total number of observations	85628
Number of reflections	23495	301	1670
<I/σ(I)>	17.14	48.77	2.63
Completeness [%]	98.7	97.1	97.7
Redundancy	3.645	3.216	3.684
CC(1/2)	0.999	0.999	0.882

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2 M (NH4)2SO4, 0.1 M sodium cacodylate trihydrate (pH 6.5), and 30 % w/v PEG 8,000