4YYN

Crystal structure of TAF1 BD2 Bromodomain bound to a crotonyllysine 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	59.009, 66.001, 80.302
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.300 - 1.850
R-factor	0.2141
Rwork	0.212
R-free	0.24330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1eqf
RMSD bond length	0.020
RMSD bond angle	1.990
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	1.920
High resolution limit [Å]	1.850	3.990	1.850
Rmerge	0.062	0.040	0.833
Total number of observations	167197
Number of reflections	27577
<I/σ(I)>	11.9
Completeness [%]	99.9	99.4	100
Redundancy	6.1	5.7	6.1

Crystallization Conditions

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