6U61

BRD2-BD1 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	2018-02-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	C 2 2 21
Unit cell lengths	69.538, 86.752, 115.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.380 - 2.290
R-factor	0.224
Rwork	0.222
R-free	0.26300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3oni
RMSD bond length	0.002
RMSD bond angle	0.519
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]	49.110	2.370
High resolution limit [Å]	2.290	2.290
Number of reflections	16100	1500
<I/σ(I)>	13.9	4.3
Completeness [%]	99.6
Redundancy	12.7
CC(1/2)	0.997	0.874

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.01 M Zinc chloride, 0.1 M MES pH 6.0, 20 % w/v PEG 6000