7LRO

Crystal structure of BPTF bromodomain in complex with inhibitor HZ-01-105

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	93
Detector technology	CCD
Collection date	2019-06-21
Detector	RAYONIX MX300-HS
Wavelength(s)	0.9700
Spacegroup name	P 1 21 1
Unit cell lengths	58.410, 27.070, 76.920
Unit cell angles	90.00, 93.87, 90.00

Refinement procedure

Resolution	33.090 - 1.450
R-factor	0.16
Rwork	0.159
R-free	0.19100
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]	33.100	1.490
High resolution limit [Å]	1.450	1.450
Rmerge	0.070	0.494
Rmeas	0.082	0.586
Number of reflections	43259	3165
<I/σ(I)>	14	2.5
Completeness [%]	99.8	99.7
Redundancy	3.6	3.5
CC(1/2)	0.998	0.782

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