7LEK

Crystal structure of the second bromodomain (BD2) of human BRDT bound to ERK5-IN-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2019-04-21
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	110.610, 99.320, 60.400
Unit cell angles	90.00, 108.39, 90.00

Refinement procedure

Resolution	52.480 - 2.750
R-factor	0.2159
Rwork	0.213
R-free	0.26430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vbq
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19_4085)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	52.481	52.481	2.820
High resolution limit [Å]	2.750	12.300	2.750
Rmerge	0.108	0.033	0.528
Rmeas	0.127	0.039	0.617
Total number of observations	60455
Number of reflections	16151	183	1175
<I/σ(I)>	10.62	23.72	2.56
Completeness [%]	99.6	93.4	100
Redundancy	3.743	3.126	3.759
CC(1/2)	0.995	0.999	0.815

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	3.5 M Sodium formate