7Q3F

Bromodomain-containing 4 BD1 in complex with the inhibitor CRCM5484

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-28
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	43.205, 48.717, 61.584
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.207 - 1.210
R-factor	0.2065
Rwork	0.206
R-free	0.22420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2oss
Data reduction software	xia2
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.720	48.720	1.240
High resolution limit [Å]	1.210	5.410	1.210
Rmerge	0.042	0.018	1.688
Number of reflections	39573	8453	6878
<I/σ(I)>	8.6
Completeness [%]	99.4	99.8	99.7
Redundancy	3.7	3.7	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		285	0.3M NaNO3, 16% PEG3350, 5% Ethylene glycol