7LEL

Crystal structure of the second bromodomain (BD2) of human BRDT bound to Bromosporine

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	P 1
Unit cell lengths	45.990, 58.460, 60.770
Unit cell angles	72.58, 71.28, 70.62

Refinement procedure

Resolution	56.199 - 2.150
R-factor	0.1851
Rwork	0.183
R-free	0.23240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vbq
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	56.199	56.199	2.210
High resolution limit [Å]	2.150	9.620	2.150
Rmerge	0.085	0.029	0.585
Rmeas	0.099	0.034	0.679
Total number of observations	110378
Number of reflections	28678	300	2071
<I/σ(I)>	11.77	31.21	2.74
Completeness [%]	95.3	88.8	92.7
Redundancy	3.849	3.523	3.87
CC(1/2)	0.997	0.998	0.828

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.05 M CaCl2, 2H2O, 0.1 M Bis-tris (pH 6.5), and 30 % v/v PEG MME 550