6U4A

BRD3-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	2019-02-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	48.825, 64.419, 87.648
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.820 - 1.880
R-factor	0.1649
Rwork	0.164
R-free	0.18810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3s91
RMSD bond length	0.004
RMSD bond angle	0.674
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]	43.840	1.920
High resolution limit [Å]	1.880	1.880
Number of reflections	23076	1421
<I/σ(I)>	16.4
Completeness [%]	99.9
Redundancy	7.4
CC(1/2)	0.990	0.883

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M Sodium sulfate 0.1 M Bis-Tris propane 8.5 20 % w/v PEG 3350