9MPJ

BRD2-BD1 in complex with cyclic peptide 2.1C

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	2018-09-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	78.625, 103.957, 105.074
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.890 - 2.920
R-factor	0.215
Rwork	0.213
R-free	0.24310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.470
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]	46.890	3.090
High resolution limit [Å]	2.920	2.920
Rmerge	0.176	0.708
Number of reflections	19351	3047
<I/σ(I)>	13.4
Completeness [%]	99.9
Redundancy	13.4
CC(1/2)	0.996	0.897

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.002 M Zinc chloride, 0.1 M Tris pH 8.0, 20 % w/v PEG 6000