7L9K

Crystal structure of the second bromodomain (BD2) of human BRD2 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	2019-02-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	77.400, 72.530, 52.680
Unit cell angles	90.00, 119.89, 90.00

Refinement procedure

Resolution	42.020 - 1.950
R-factor	0.1903
Rwork	0.188
R-free	0.22570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7l9g
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19_4085)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.020	42.020	2.000
High resolution limit [Å]	1.950	8.720	1.950
Rmerge	0.066	0.035	0.425
Rmeas	0.077	0.042	0.494
Total number of observations	66998
Number of reflections	17720	201	1241
<I/σ(I)>	13.88	32.14	3.4
Completeness [%]	95.6	89.7	93.5
Redundancy	3.781	3.279	3.783
CC(1/2)	0.998	0.997	0.922

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M HEPES 7.5, 2.0 M Ammonium sulfate