6V17

Crystal structure of the bromodomain of human BRD7 bound to I-BRD9

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	Cu FINE FOCUS
Temperature [K]	100
Detector technology	CCD
Collection date	2019-02-05
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	41.102, 64.749, 96.107
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.588 - 2.050
R-factor	0.2106
Rwork	0.209
R-free	0.24120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ppa
Data reduction software	DIALS
Data scaling software	Aimless (0.5.1)
Phasing software	PHASER
Refinement software	PHENIX (1.14-3260_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	64.750	64.750	2.110
High resolution limit [Å]	2.050	8.940	2.050
Rmerge	0.106	0.079	0.648
Rmeas	0.115	0.087	0.723
Rpim	0.044	0.036	0.315
Total number of observations	107062	1354	5208
Number of reflections	16528	250	1078
<I/σ(I)>	7.5	14.7	2.2
Completeness [%]	98.8	99.2	86.7
Redundancy	6.5	5.4	4.8
CC(1/2)	0.995	0.990	0.568

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1 M (NH4)2SO4, 0.05 M Bis-tris (pH 6.5), and 30 % Pentaerythritol ethoxylate