7LPK

Crystal structure of BPTF bromodomain in complex with inhibitor HZ-03-112

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	2019-04-21
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	58.420, 27.180, 76.910
Unit cell angles	90.00, 93.66, 90.00

Refinement procedure

Resolution	38.380 - 1.390
R-factor	0.19
Rwork	0.190
R-free	0.20430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7k6r
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.380	1.430
High resolution limit [Å]	1.390	1.390
Rmerge	0.062	0.490
Rmeas	0.073	0.585
Number of reflections	48967	3673
<I/σ(I)>	14.1	3.37
Completeness [%]	99.2	99.8
Redundancy	3.6	3.4
CC(1/2)	0.998	0.744

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	0.2M Lithium sulfate monohydrate, 0.1M Bis-Tris pH 6.5 and 25% polyethylene glycol 3,350