7VRI

crystal structure of BRD2-BD2 in complex with guanosine analog

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-08-31
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.54056
Spacegroup name	P 21 21 2
Unit cell lengths	52.316, 71.476, 32.028
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	13.790 - 1.500
R-factor	0.1854
Rwork	0.183
R-free	0.22810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xhk
RMSD bond length	0.005
RMSD bond angle	0.788
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((1.18_3855: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	13.790	1.480
High resolution limit [Å]	1.450	1.450
Rmerge	0.127	0.566
Number of reflections	21402	857
<I/σ(I)>	14.15
Completeness [%]	96.3	77.3
Redundancy	4	2.1
CC(1/2)	0.990	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		300	PEG MME 2000, 50mM Tris, 50mM Nacl