6U8H

BRD2-BD1 in complex with the cyclic peptide 3.2_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	2018-08-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 41 21 2
Unit cell lengths	89.587, 89.587, 71.592
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.440 - 2.070
R-factor	0.1839
Rwork	0.182
R-free	0.22320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3oni
RMSD bond length	0.002
RMSD bond angle	0.465
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.770	2.130
High resolution limit [Å]	2.070	2.070
Number of reflections	18193	1350
<I/σ(I)>	25
Completeness [%]	99.7
Redundancy	12.2
CC(1/2)	0.999	0.971

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		100	0.2 M Sodium iodide 0.1 M Bis-Tris propane 7.5 20 % w/v PEG 3350