6LU6

Crystal structure of BPTF-BRD with ligand DCBPin5-2 bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	C 1 2 1
Unit cell lengths	111.424, 27.141, 38.758
Unit cell angles	90.00, 98.13, 90.00

Refinement procedure

Resolution	33.818 - 1.970
R-factor	0.257002223821
Rwork	0.253
R-free	0.31608
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qzt
RMSD bond length	0.008
RMSD bond angle	0.912
Data reduction software	HKL-3000
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.820	2.040
High resolution limit [Å]	1.970	1.970
Rmerge	0.111	0.947
Rmeas	0.157
Rpim	0.111	0.947
Number of reflections	7299	753
<I/σ(I)>	2.2
Completeness [%]	88.7
Redundancy	2.2
CC(1/2)	0.992	0.841

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	0.2 M Lithium sulfate monohydrate, 0.1 M Tris pH 8.5, 25% PEG3350