7S3P

BD2 domain of human BRD3 bound to Physachenolide C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	C 2 2 21
Unit cell lengths	101.448, 158.535, 293.233
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.490 - 2.890
R-factor	0.2084
Rwork	0.207
R-free	0.24020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2oo1
RMSD bond length	0.009
RMSD bond angle	1.186
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.490	2.993
High resolution limit [Å]	2.890	2.890
Rmerge	0.050	0.303
Rmeas	0.071	0.429
Rpim	0.050	0.303
Number of reflections	53287	5273
<I/σ(I)>	7.67	2.04
Completeness [%]	99.8	99.79
Redundancy	2	2
CC(1/2)	0.997	0.936

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.2 M Sodium chloride 0.1 M BIS-TRIS pH 6.5 25% w/v Polyethylene glycol 3,350