7K6S

Crystal structure of the bromodomain (BD) of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to Compound 4 (SKT1174)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2017-11-30
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.00
Spacegroup name	C 1 2 1
Unit cell lengths	111.210, 27.210, 37.920
Unit cell angles	90.00, 96.83, 90.00

Refinement procedure

Resolution	32.990 - 1.230
R-factor	0.166
Rwork	0.165
R-free	0.20290
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]	32.990	32.990	1.260
High resolution limit [Å]	1.230	5.500	1.230
Rmerge	0.035	0.034	0.158
Rmeas	0.041	0.041	0.192
Total number of observations	117307
Number of reflections	32926	390	2387
<I/σ(I)>	22.91	39.31	6.48
Completeness [%]	99.3	95.6	98.7
Redundancy	3.563	3.341	3.023
CC(1/2)	0.999	0.997	0.973

Crystallization Conditions

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