6U71

BRD2-BD2 in complex with the cyclic peptide 3.1_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	2018-07-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 2 21 21
Unit cell lengths	31.818, 51.809, 71.788
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.010 - 1.470
R-factor	0.162
Rwork	0.160
R-free	0.19900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3oni
RMSD bond length	0.003
RMSD bond angle	0.615
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]	42.010	1.500
High resolution limit [Å]	1.470	1.470
Number of reflections	20855	1008
<I/σ(I)>	11.8
Completeness [%]	99.7
Redundancy	4.4
CC(1/2)	0.997	0.798

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M MMT pH 9.0, 25 % w/v PEG 1500