8CV5

Peptide 4.2B in complex with BRD3.2

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 32 2 1
Unit cell lengths	76.066, 76.066, 57.907
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.790 - 1.470
R-factor	0.1809
Rwork	0.180
R-free	0.19670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3s92
RMSD bond length	0.006
RMSD bond angle	1.045
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]	43.490	1.490
High resolution limit [Å]	1.470	1.470
Rmerge	0.083	0.906
Rmeas	0.087	0.954
Rpim	0.027	0.294
Number of reflections	33328	1627
<I/σ(I)>	22.8	3.5
Completeness [%]	99.9	99
Redundancy	20.3	19.7
CC(1/2)	1.000	0.882

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M sodium sulfate, 20% w/v PEG3350