6HM0

Crystal structure of human BRD9 bromodomain in complex with a PROTAC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.96862
Spacegroup name	P 1 21 1
Unit cell lengths	38.840, 59.820, 60.340
Unit cell angles	90.00, 108.75, 90.00

Refinement procedure

Resolution	41.300 - 2.400
R-factor	0.2177
Rwork	0.216
R-free	0.25070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5i40
RMSD bond length	0.010
RMSD bond angle	1.202
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.300	41.320	2.490
High resolution limit [Å]	2.400	8.980	2.400
Rmerge	0.084	0.052	0.157
Rmeas	0.096	0.060	0.178
Rpim	0.046	0.029	0.084
Number of reflections	10196	206	1066
<I/σ(I)>	18.9
Completeness [%]	98.5	95.3	99.9
Redundancy	4.2	3.8	4.3
CC(1/2)	0.990	0.995	0.980

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	24% PEG 3350 0.2 M NH4F