7TO7

BRD3-BD1 in complex with RaPID linear peptide 1xAcK.4XE (monoAcK.4xE)

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	2020-11-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953732
Spacegroup name	P 21 21 21
Unit cell lengths	41.862, 99.277, 120.608
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.640 - 1.930
R-factor	0.2039
Rwork	0.201
R-free	0.25060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3s91
RMSD bond length	0.007
RMSD bond angle	0.854
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]	49.640	1.980
High resolution limit [Å]	1.930	1.930
Rmerge	0.129	1.118
Rmeas	0.147	1.274
Rpim	0.069	0.603
Number of reflections	38396	2398
<I/σ(I)>	11.3	1.8
Completeness [%]	99.6	94.4
Redundancy	8.2	8.1
CC(1/2)	0.998	0.636

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M PCTP, pH 4.0, 25% w/v PEG1500