6LU5

Crystal structure of BPTF-BRD with ligand DCBPin5 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	2019-12-16
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.98
Spacegroup name	C 1 2 1
Unit cell lengths	110.173, 26.987, 37.552
Unit cell angles	90.00, 95.83, 90.00

Refinement procedure

Resolution	32.439 - 1.865
R-factor	0.209330457279
Rwork	0.206
R-free	0.28214
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qzt
RMSD bond length	0.008
RMSD bond angle	0.955
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]	32.440	1.932
High resolution limit [Å]	1.865	1.865
Rmerge	0.069	0.235
Rmeas	0.076	0.260
Rpim	0.030	0.109
Number of reflections	9222	715
<I/σ(I)>	9.7
Completeness [%]	94.9
Redundancy	6.2
CC(1/2)	1.000	0.969

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% PEG 3350