7L6X

Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to GNE-371

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 43
Unit cell lengths	69.670, 69.670, 83.801
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.910 - 2.750
R-factor	0.2107
Rwork	0.209
R-free	0.24990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7k03
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19_4085)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	69.670	69.670	2.880
High resolution limit [Å]	2.750	9.120	2.750
Rmerge	0.083	0.033	1.285
Rmeas	0.090	0.035	1.384
Rpim	0.034	0.013	0.510
Total number of observations	72018	1985	10230
Number of reflections	10507	309	1402
<I/σ(I)>	13.3	41.6	1.7
Completeness [%]	99.9	99.9	99.9
Redundancy	6.9	6.4	7.3
CC(1/2)	0.999	0.999	0.641

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M Amino acids, 0.1M Buffer system 1 pH 6.5, 30% v/v precipitant mix 3 (morpheus screen 2-39)