6AXQ

CREBBP bromodomain in complex with Cpd6 (methyl 1H-indole-3-carboxylate)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2011-02-04
Detector	MACSCIENCE
Wavelength(s)	0.999
Spacegroup name	P 21 2 21
Unit cell lengths	68.710, 69.980, 110.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.544 - 1.300
R-factor	0.2006
Rwork	0.200
R-free	0.21610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ktx
RMSD bond length	0.008
RMSD bond angle	1.013
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (dev_2747)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.300
Number of reflections	130910
<I/σ(I)>	4
Completeness [%]	100.0
Redundancy	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.2	289	3.545 M Formate, 100 mM Tris-HCl pH 8.2, 10% glycerol