5I40

BRD9 in complex with Cpd1 (6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	173
Detector technology	CCD
Collection date	2014-01-01
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97915
Spacegroup name	P 1
Unit cell lengths	24.580, 33.745, 39.503
Unit cell angles	70.47, 73.32, 74.52

Refinement procedure

Resolution	23.120 - 1.040
R-factor	0.1333
Rwork	0.132
R-free	0.15950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.699
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	2.240	1.080
High resolution limit [Å]	1.040	1.780	1.040
Rmerge	0.041	0.036	0.452
Rmeas	0.051
Rpim	0.029
Total number of observations	145238
Number of reflections	49565
<I/σ(I)>	10.5
Completeness [%]	91.8	94.5	85.4
Redundancy	2.9	2.9	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277.1	0.2 M sodium formate 10-15% PEG3350