9M0F

The crystal structure of BRD4-BDs in complex with H2A peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2024-01-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97861
Spacegroup name	C 1 2 1
Unit cell lengths	125.453, 70.446, 92.958
Unit cell angles	90.00, 126.97, 90.00

Refinement procedure

Resolution	74.270 - 2.610
R-factor	0.2124
Rwork	0.208
R-free	0.25440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.167
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.270	2.660
High resolution limit [Å]	2.610	2.610
Number of reflections	19865	6587
<I/σ(I)>	8.3
Completeness [%]	99.9
Redundancy	6.6
CC(1/2)	0.995	0.839

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	289.15	PEG 3350, Sodium citrate tribasic dihydrate, 1-propanol