3QZS

Crystal Structure of BPTF bromo in complex with histone H4K16ac - Form I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	110
Detector technology	CCD
Collection date	2007-01-31
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	45.739, 27.197, 84.198
Unit cell angles	90.00, 89.87, 90.00

Refinement procedure

Resolution	17.750 - 1.800
R-factor	0.1778
Rwork	0.173
R-free	0.23010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2f6j
RMSD bond length	0.022
RMSD bond angle	1.799
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	1.860
High resolution limit [Å]	1.800	3.870	1.800
Rmerge	0.114	0.055	0.562
Number of reflections	19304
<I/σ(I)>	16.8
Completeness [%]	97.7	94.4	97.6
Redundancy	3.2	3.2	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8		100 mM Tris-HCl pH 8.0, 20% Glycerol, vapor diffusion, hanging drop