7F5C

Crystal structure of BPTF-BRD with ligand DC-BPi-07 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	111.309, 27.148, 38.695
Unit cell angles	90.00, 98.20, 90.00

Refinement procedure

Resolution	29.533 - 1.650
R-factor	0.184575034066
Rwork	0.183
R-free	0.21679
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qzt
RMSD bond length	0.005
RMSD bond angle	0.888
Data reduction software	HKL-3000
Data scaling software	Aimless
Phasing software	PHASES
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.709
High resolution limit [Å]	1.650	1.650
Rmerge		0.072
Rmeas	0.317	0.078
Rpim	0.129	0.030
Number of reflections	13478	13479
<I/σ(I)>	95.5
Completeness [%]	95.4
Redundancy	6.2
CC(1/2)	0.957	0.958

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