4YYM

Crystal structure of TAF1 BD2 Bromodomain bound to a butyryllysine peptide

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	2013-07-08
Detector	RAYONIX MX300-HS
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	58.215, 66.048, 81.021
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.700 - 1.500
R-factor	0.2203
Rwork	0.218
R-free	0.26070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1eqf
RMSD bond length	0.022
RMSD bond angle	2.178
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.550
High resolution limit [Å]	1.500	3.230	1.500
Rmerge	0.051	0.038	0.946
Total number of observations	302465
Number of reflections	50570
<I/σ(I)>	12.4
Completeness [%]	99.3	99.1	97.7
Redundancy	6	5.7	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.2 M calcium chloride, 20 w/v PEG3350