8CV4

Peptide 4.2C 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 21 21 21
Unit cell lengths	53.575, 65.855, 76.395
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.560 - 1.930
R-factor	0.2112
Rwork	0.209
R-free	0.25450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uvv
RMSD bond length	0.007
RMSD bond angle	1.003
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]	43.860	1.970
High resolution limit [Å]	1.930	1.930
Rmerge	0.079	0.749
Rmeas	0.085	0.812
Rpim	0.032	0.311
Number of reflections	20968	1312
<I/σ(I)>	19.6	3.4
Completeness [%]	99.6	94.4
Redundancy	13.1
CC(1/2)	1.000	0.907

Crystallization Conditions

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