6IN2

Crystal structure of BRD1 in complex with 18-Crown-6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2016-11-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	27.926, 59.641, 35.831
Unit cell angles	90.00, 106.60, 90.00

Refinement procedure

Resolution	29.758 - 1.750
R-factor	0.2101
Rwork	0.208
R-free	0.24770
RMSD bond length	0.005
RMSD bond angle	0.630
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((1.10.1-2155_1069: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.800	1.810
High resolution limit [Å]	1.750	1.750
Rpim	0.041	0.343
Number of reflections	11371
<I/σ(I)>	11.1
Completeness [%]	99.5
Redundancy	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	17% PEG4000, 0.1 M sodium acetate pH 4.4, 0.2 M ammonium acetate