7L73

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2019-04-21
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9700
Spacegroup name	C 1 2 1
Unit cell lengths	84.370, 23.570, 58.450
Unit cell angles	90.00, 104.66, 90.00

Refinement procedure

Resolution	40.812 - 1.460
R-factor	0.1706
Rwork	0.170
R-free	0.19030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vbq
RMSD bond length	0.006
RMSD bond angle	1.070
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.11.1-2575_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.812	40.812	1.500
High resolution limit [Å]	1.460	6.530	1.460
Rmerge	0.044	0.020	0.407
Rmeas	0.052	0.024	0.486
Total number of observations	68881
Number of reflections	19695	248	1429
<I/σ(I)>	17.67	42.67	3.1
Completeness [%]	99.4	96.1	99.9
Redundancy	3.497	3.149	3.339
CC(1/2)	0.999	0.999	0.846

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.05 M (NH4)2SO4, 0.05 M Bis-tris (pH 6.5), and 30 % Pentaerythritol ethoxylate