7VRH

crystal structure of BRD2-BD1 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	2020-08-28
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.5406
Spacegroup name	C 1 2 1
Unit cell lengths	113.083, 55.473, 67.792
Unit cell angles	90.00, 94.15, 90.00

Refinement procedure

Resolution	28.390 - 2.200
R-factor	0.1951
Rwork	0.193
R-free	0.24090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jke
RMSD bond length	0.008
RMSD bond angle	0.940
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]	50.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.118	0.406
Number of reflections	20793	884
<I/σ(I)>	18.51	2
Completeness [%]	97.0	81.4
Redundancy	4	2
CC(1/2)	1.000	0.780

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		300	PEG MME 5000, 0.8M Ammonium sulfate