7LAZ

Crystal structure of the first bromodomain (BD1) of human BRD3 bound to ERK5-IN-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 41 21 2
Unit cell lengths	81.903, 81.903, 120.242
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.710 - 2.302
R-factor	0.2028
Rwork	0.200
R-free	0.23970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7lay
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.340
High resolution limit [Å]	2.300	6.240	2.300
Rmerge	0.111	0.046	0.805
Rmeas	0.116	0.048	0.848
Rpim	0.035	0.015	0.262
Total number of observations	204933
Number of reflections	18845	1079	937
<I/σ(I)>	7.2
Completeness [%]	100.0	99.8	100
Redundancy	10.9	9.4	10.3
CC(1/2)		0.999	0.837

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M HEPES pH 7.5, 4.3 M Sodium chloride