6BQD

TAF1-BD2 bromodomain in complex with (E)-3-(6-(but-2-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,N-dimethylbenzamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-03-23
Detector	RAYONIX MX300-HS
Wavelength(s)	0.9793
Spacegroup name	C 1 2 1
Unit cell lengths	128.553, 42.510, 63.372
Unit cell angles	90.00, 103.39, 90.00

Refinement procedure

Resolution	39.558 - 2.136
R-factor	0.1872
Rwork	0.185
R-free	0.22640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 5I29
RMSD bond length	0.012
RMSD bond angle	1.077
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (dev_2747)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.558	2.249
High resolution limit [Å]	2.136	2.136
Number of reflections	18311
<I/σ(I)>	12
Completeness [%]	97.5
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5	277	8% Tacsimate pH 5.0 and 20% PEG3350