6VIY

BRD2_Bromodomain2 complex with pyrrolopyridone compound 27

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-06-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	59.990, 68.010, 59.560
Unit cell angles	90.00, 95.74, 90.00

Refinement procedure

Resolution	44.860 - 1.904
R-factor	0.2148
Rwork	0.213
R-free	0.25530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uew
RMSD bond length	0.008
RMSD bond angle	0.850
Data scaling software	XSCALE
Refinement software	BUSTER (2.11.7 (29-NOV-2019))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.862	1.937
High resolution limit [Å]	1.904	1.904
Rmerge	0.045	0.733
Number of reflections	16430	463
<I/σ(I)>	17.5
Completeness [%]	87.7
Redundancy	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	25% PEG1500, 0.2M AmSO4, 0.1M Na Cacodylate, pH 5.5