7T2I

Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ZS1-588

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2021-01-11
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	45.347, 54.509, 121.983
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.390 - 1.890
R-factor	0.1672
Rwork	0.166
R-free	0.19930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7lb1
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.18.2-3874_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.920
High resolution limit [Å]	1.890	5.130	1.890
Rmerge	0.098	0.044	0.926
Rmeas	0.108	0.048	1.114
Rpim	0.044	0.020	0.604
Total number of observations	130383
Number of reflections	24479	1382	976
<I/σ(I)>	6.8
Completeness [%]	98.2	99.4	80.1
Redundancy	5.3	5.7	2.5
CC(1/2)		0.998	0.241

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.15 M MgCl2, 0.1 M Bis-Tris pH 5.5, 15% PEG 3,350