7VD4

Crystal structure of BPTF-BRD with ligand TP248 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	2019-03-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	C 1 2 1
Unit cell lengths	111.923, 27.219, 38.727
Unit cell angles	90.00, 98.03, 90.00

Refinement procedure

Resolution	24.114 - 1.857
R-factor	0.208045391853
Rwork	0.206
R-free	0.24636
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qzt
RMSD bond length	0.009
RMSD bond angle	0.961
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	1.925
High resolution limit [Å]	1.850	1.858
Rmerge	0.117	0.456
Rmeas	0.128	0.512
Rpim	0.050	0.209
Number of reflections	9679	840
<I/σ(I)>	97.7
Completeness [%]	96.4
Redundancy	6
CC(1/2)	0.897	0.890

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