7TOA

BRD3-BD1 in complex with RaPID linear peptide 3xAcK.1 (triAcK.1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953722
Spacegroup name	P 1 21 1
Unit cell lengths	40.726, 64.466, 53.415
Unit cell angles	90.00, 95.47, 90.00

Refinement procedure

Resolution	41.020 - 1.410
R-factor	0.1661
Rwork	0.165
R-free	0.19640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3s91
RMSD bond length	0.005
RMSD bond angle	0.873
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.020	1.430
High resolution limit [Å]	1.410	1.410
Rmerge	0.050	1.497
Rmeas	0.059	1.779
Rpim	0.031	0.950
Number of reflections	52733	2542
<I/σ(I)>	17.2	1.2
Completeness [%]	99.4	97.7
Redundancy	6.9	6.6
CC(1/2)	1.000	0.592

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M Bis-Tris, pH 5.5, 25% w/v PEG3350