4A9M

N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N-cyclopentyl-5-(3,5- dimethyl-1,2-oxazol-4-yl)-2-methylbenzene-1-sulfonamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2009-02-26
Detector	RIGAKU SATURN A200
Spacegroup name	C 1 2 1
Unit cell lengths	115.577, 55.682, 67.986
Unit cell angles	90.00, 94.61, 90.00

Refinement procedure

Resolution	33.880 - 2.060
R-factor	0.18267
Rwork	0.180
R-free	0.22464
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.139
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.880	33.880
High resolution limit [Å]	2.060	2.060
Rmerge	0.080	0.370
Number of reflections	26642
<I/σ(I)>	3.5	3.2
Completeness [%]	99.3	99.3
Redundancy	3.5	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5		0.1 M HEPES, PH 8.5, 24-34% PEG 3350, 0.2 M (NH4)2SO4.