7N42

Crystal structure of the tandem bromodomain of human TAF1 (TAF1-T) bound to ZS1-681

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2020-12-26
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	45.599, 54.463, 122.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.590 - 1.900
R-factor	0.1628
Rwork	0.161
R-free	0.20360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7k03
Data reduction software	XDS
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.19_4085)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.930
High resolution limit [Å]	1.900	5.160	1.900
Rmerge	0.073	0.038	0.531
Rmeas	0.080	0.041	0.598
Rpim	0.031	0.016	0.271
Total number of observations	158462
Number of reflections	24715	1383	1080
<I/σ(I)>	9.6
Completeness [%]	99.4	99.5	88.7
Redundancy	6.4	6.3	4.7
CC(1/2)		0.999	0.804

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