7T36

Crystal structure of the tandem bromodomain (BD1 and BD2) of human TAF1 bound to ZS1-322

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-08-09
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	45.300, 54.299, 122.709
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.500 - 1.650
R-factor	0.1811
Rwork	0.180
R-free	0.20270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7jsp
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.19_4085)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.300	45.300	1.680
High resolution limit [Å]	1.650	9.040	1.650
Rmerge	0.078	0.034	1.035
Rmeas	0.085	0.038	1.121
Rpim	0.033	0.015	0.427
Total number of observations	237130	1483	11980
Number of reflections	37091	280	1788
<I/σ(I)>	15.7	35.6	2.9
Completeness [%]	99.6	99.3	98.1
Redundancy	6.4	5.3	6.7
CC(1/2)	0.999	0.999	0.734

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.15 M MgCl2, 0.1 M Bis-Tris pH 5.5, 15% PEG 3,350