4UIU

BROMODOMAIN OF HUMAN BRD9 WITH 7-(3,4-dimethoxyphenyl)-N-(1,1-dioxo-1- thian-4-yl)-5-methyl-4-oxo-4H,5H-thieno-3,2-c-pyridine-2-carboxamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	100
Collection date	2013-04-05
Detector	RIGAKU
Spacegroup name	P 1
Unit cell lengths	24.548, 33.942, 39.465
Unit cell angles	70.39, 73.02, 74.10

Refinement procedure

Resolution	36.260 - 1.640
R-factor	0.16431
Rwork	0.163
R-free	0.18700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	NONE
RMSD bond length	0.004
RMSD bond angle	0.823
Data reduction software	XDS
Data scaling software	SCALA
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.260	1.720
High resolution limit [Å]	1.640	1.640
Rmerge	0.020	0.030
Number of reflections	26838
<I/σ(I)>	41.4	24.8
Completeness [%]	91.0	84.3
Redundancy	2.1	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		pH 6.5