7RWP

Crystal Structure of BPTF bromodomain in complex with 5-[4-(aminomethyl)anilino]-4-chloro-2-methylpyridazin-3(2H)-one

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9791
Spacegroup name	P 2 21 21
Unit cell lengths	27.131, 66.337, 70.506
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.310 - 1.730
R-factor	0.1768
Rwork	0.175
R-free	0.20710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7jt4
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.310	1.760
High resolution limit [Å]	1.730	1.730
Rmerge	0.053	0.381
Number of reflections	13678	745
<I/σ(I)>	10.7
Completeness [%]	98.7
Redundancy	1.8
CC(1/2)	0.998	0.731

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	20% (v/v) PEG 3350