7F5D

Crystal structure of BPTF-BRD with ligand DC-BPi-03 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	111.651, 27.139, 37.907
Unit cell angles	90.00, 96.65, 90.00

Refinement procedure

Resolution	37.652 - 1.572
R-factor	0.19558491155
Rwork	0.194
R-free	0.22823
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qzt
RMSD bond length	0.006
RMSD bond angle	0.890
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	1.630
High resolution limit [Å]	1.570	1.570
Rmerge	0.102	0.379
Rmeas	0.108	0.418
Rpim	0.042	0.179
Number of reflections	15992	1527
<I/σ(I)>	16.58
Completeness [%]	99.6
Redundancy	6.3
CC(1/2)	0.989	0.899

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