7K42

Crystal structure of the second bromodomain (BD2) of human TAF1 bound to dioxane

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2018-04-10
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	57.060, 57.180, 124.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.280 - 1.700
R-factor	0.1623
Rwork	0.162
R-free	0.18950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7jsp
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]	62.280	62.280	1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge	0.030	0.016	0.393
Rmeas	0.035	0.018	0.491
Total number of observations	159577
Number of reflections	44531	543	3043
<I/σ(I)>	24.6	78.02	2.41
Completeness [%]	97.5	91	91.2
Redundancy	3.584	4.621	2.624
CC(1/2)	1.000	1.000	0.814

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M Potassium sodium tartrate tetrahydrate, 0.1 M Sodium acetate tribasic dihydrate pH 5.6, 2.0 M Ammonium sulfate, 25% v/v Ethylene glycol