8QB0

Crystal Structure of BRPF1 bromodomain in complex with acetyl-pyrrole derivative compound 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 32 2 1
Unit cell lengths	60.544, 60.544, 63.263
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	52.433 - 1.450
R-factor	0.1807
Rwork	0.179
R-free	0.20770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.993
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.260	1.470
High resolution limit [Å]	1.450	1.450
Rmerge	0.062	1.155
Rmeas	0.064	1.187
Rpim	0.015	0.275
Total number of observations	440111	22155
Number of reflections	24265	1200
<I/σ(I)>	24.2	2.9
Completeness [%]	100.0
Redundancy	18.1	18.5
CC(1/2)	0.998	0.893

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.18 M sodium nitrate, 30% PEG 3350, 5% ethylene glycol