5O3D

Human Brd2(BD2) mutant in complex with 9-ET

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-19
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	52.407, 71.830, 32.003
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.003 - 1.600
R-factor	0.1484
Rwork	0.147
R-free	0.17030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4qeu
RMSD bond length	0.009
RMSD bond angle	1.056
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.003	1.657
High resolution limit [Å]	1.600	1.600
Rmerge	0.052	0.075
Number of reflections	16364	1536
<I/σ(I)>	32.7
Completeness [%]	98.8	94.76
Redundancy	10.3	7.2
CC(1/2)	0.999	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.25	293	0.1M Tris pH8.25 55% Pentaerythritol propoxylate (5/4 PO/OH) 0.2M Imidazole