9MPM

BRD3-BD1 in complex with cyclic peptide 2.1C-W11A

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	2020-10-31
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	58.953, 61.696, 104.808
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.620 - 2.600
R-factor	0.2279
Rwork	0.226
R-free	0.26260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.479
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]	42.620	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.115	1.039
Number of reflections	12270	1463
<I/σ(I)>	18.2
Completeness [%]	100.0
Redundancy	13.2
CC(1/2)	0.999	0.874

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M Ammonium chloride, 0.1 M HEPES pH 7.0, 20 % w/v PEG 6000