6ULQ

BRD2-BD1 in complex with the cyclic peptide 4.2_3

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	2019-09-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953700
Spacegroup name	I 1 2 1
Unit cell lengths	80.484, 76.142, 109.661
Unit cell angles	90.00, 108.28, 90.00

Refinement procedure

Resolution	42.450 - 2.700
R-factor	0.2231
Rwork	0.222
R-free	0.25160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3oni
RMSD bond length	0.002
RMSD bond angle	0.571
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]	42.450	2.830
High resolution limit [Å]	2.690	2.690
Number of reflections	17457	2268
<I/σ(I)>	9.5
Completeness [%]	99.6
Redundancy	6.7
CC(1/2)	0.981	0.570

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M SPG 6.0, 25 % w/v PEG 1500