9MPG

BRD2-BD1 in complex with cyclic peptide 2.1A

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	2018-06-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953735
Spacegroup name	P 1 21 1
Unit cell lengths	62.100, 81.543, 69.012
Unit cell angles	90.00, 101.04, 90.00

Refinement procedure

Resolution	48.820 - 1.800
R-factor	0.1839
Rwork	0.182
R-free	0.21780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.942
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.820	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.070	0.918
Number of reflections	62636	3694
<I/σ(I)>	11.2
Completeness [%]	100.0	99.9
Redundancy	5.5
CC(1/2)	0.998	0.678

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M BIS-TRIS pH 5.5, 25% w/v Polyethylene glycol 3,350