6QJU

Crystal structure of human Bromodomain containing protein 3 (BRD3) in complex with 3-bromo-1H-indazol-5-amine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-23
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	50.951, 62.071, 84.783
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.672 - 1.202
R-factor	0.1414
Rwork	0.141
R-free	0.16000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2nxb
RMSD bond length	0.010
RMSD bond angle	1.058
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.672	1.270
High resolution limit [Å]	1.202	1.202
Rmeas	0.040	0.340
Number of reflections	151382	26179
<I/σ(I)>	25.48	5.11
Completeness [%]	93.6	82.6
Redundancy	6.82	6.8
CC(1/2)	1.000	0.950

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	0.20 M KSCN, 0.1 M BTPop, 20% PEG3350, 10% EtGly, soaked with 14% DMSO containing 42mM 3-bromo-1H-imidazol-5-amine