7KDW

Crystal structure of the bromodomain (BD) of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to Compound 6 (HZ01052)

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	2019-09-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 1
Unit cell lengths	27.220, 37.960, 57.070
Unit cell angles	96.63, 103.82, 90.88

Refinement procedure

Resolution	33.020 - 1.710
R-factor	0.2038
Rwork	0.202
R-free	0.24610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3uv2
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.020	33.020	1.750
High resolution limit [Å]	1.710	7.650	1.710
Rmerge	0.214	0.114	0.411
Rmeas	0.222	0.120	0.460
Total number of observations	301156
Number of reflections	23629	261	1722
<I/σ(I)>	11.82	21.56	3.02
Completeness [%]	99.3	98.1	99.5
Redundancy	12.745	13.337	5.113
CC(1/2)	0.997	0.998	0.907

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2M Lithium sulfate monohydrate, 0.1M BIS-TRIS pH6.5, 25 percent polyethylene glycol 3,350