7K6F

Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 in complex with MES (2-(N-morpholino)ethanesulfonic acid)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-08-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0332
Spacegroup name	P 41 21 2
Unit cell lengths	80.318, 80.318, 142.357
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.390 - 1.860
R-factor	0.1809
Rwork	0.180
R-free	0.20350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7jjh
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.450	47.450	1.910
High resolution limit [Å]	1.860	8.320	1.860
Rmerge	0.142	0.041	5.079
Rmeas	0.148	0.043	5.284
Rpim	0.041	0.013	1.450
Total number of observations	513244	5834	38248
Number of reflections	39987	551	2898
<I/σ(I)>	13.6	51.5	0.6
Completeness [%]	100.0	99.5	99.9
Redundancy	12.8	10.6	13.2
CC(1/2)	0.999	0.999	0.211

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M Carboxylic acid (0.02M Sodium formate; 0.02M Ammonium acetate; 0.02M Sodium citrate tribasic dihydrate; 0.02M Potassium sodium tartrate tetrahydrate; 0.02M Sodium oxamate), 0.1M Buffer system 1 pH 6.5 (Imidazole; MES monohydrate), 30% precipitant mix 3 (20% v/v Glycerol; 10% w/v PEG 4000)