7K0D

Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to mTORC1/2 inhibitor AZD3147

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	2016-06-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	49.290, 72.380, 77.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.020 - 2.200
R-factor	0.2308
Rwork	0.230
R-free	0.24860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID 7K03
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.020	36.020	2.310
High resolution limit [Å]	2.200	10.060	2.250
Rmerge	0.039	0.029	0.698
Rmeas	0.042	0.031	0.748
Number of reflections	14496	178	960
<I/σ(I)>	22.82	50.18	2.86
Completeness [%]	99.6	96.7	99.7
Redundancy	7.343	5.669	7.765
CC(1/2)	0.999	0.999	0.933

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M Ammonium sulfate, 0.1 M MES monohydrate, 30% Polyethylene glycol monomethyl ether 5,000