8CV7

Peptide 2.2E in complex with BRD2-BD2

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	2019-10-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953735
Spacegroup name	P 1 21 1
Unit cell lengths	52.948, 52.420, 55.993
Unit cell angles	90.00, 96.67, 90.00

Refinement procedure

Resolution	32.120 - 1.600
R-factor	0.1756
Rwork	0.174
R-free	0.19830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3oni
RMSD bond length	0.007
RMSD bond angle	1.025
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.640	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.054	0.427
Rmeas	0.064	0.503
Rpim	0.033	0.264
Number of reflections	39575	1893
<I/σ(I)>	18.3	4.2
Completeness [%]	98.3	97
Redundancy	7	7
CC(1/2)	0.999	0.933

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M sodium fluoride, 0.1 M Bis-Tris propane, pH 8.5, 20% w/v PEG3350