8CV6

Peptide 4.2B in complex with BRD4.2

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	2019-11-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953736
Spacegroup name	P 1 21 1
Unit cell lengths	29.442, 59.636, 36.269
Unit cell angles	90.00, 100.61, 90.00

Refinement procedure

Resolution	35.650 - 1.700
R-factor	0.1832
Rwork	0.181
R-free	0.22220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3uvv
RMSD bond length	0.007
RMSD bond angle	1.037
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.650	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.073	0.566
Rmeas	0.085	0.670
Rpim	0.044	0.355
Number of reflections	13420	4431
<I/σ(I)>	15.9	3
Completeness [%]	97.8	93
Redundancy	7.1	6.6
CC(1/2)	0.999	0.851

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M HEPES, pH 7.5, 30% w/v PEG1000