9NN4

BET BRD3-BD1 in complex with peptide 7.2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	68.826, 30.067, 77.854
Unit cell angles	90.00, 108.53, 90.00

Refinement procedure

Resolution	42.630 - 1.370
R-factor	0.1575
Rwork	0.156
R-free	0.19540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.162
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.630	1.390
High resolution limit [Å]	1.370	1.370
Rmerge	0.110
Rpim		0.633
Number of reflections	63844	63844
<I/σ(I)>	7.4
Completeness [%]	99.4
Redundancy	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.2 M Magnesium chloride 0.1 M TRIS pH 7.0 PEG 8000