7F5E

Crystal structure of BPTF-BRD with ligand DC-BPi-11 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	2021-06-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	C 1 2 1
Unit cell lengths	111.448, 27.157, 38.697
Unit cell angles	90.00, 98.53, 90.00

Refinement procedure

Resolution	29.452 - 2.200
R-factor	0.191574074786
Rwork	0.187
R-free	0.27262
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qzt
RMSD bond length	0.009
RMSD bond angle	0.967
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]	40.000	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.099	0.537
Rmeas	0.108	0.385
Rpim	0.043	0.162
Number of reflections	5770	462
<I/σ(I)>	15.3
Completeness [%]	95.4
Redundancy	5.8
CC(1/2)	0.987	0.902

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