3BIY

Crystal structure of p300 histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	93
Detector technology	CCD
Collection date	2006-10-21
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9786, 0.9789, 0.9287, 0.9193, 0.9253
Spacegroup name	P 43
Unit cell lengths	61.513, 61.513, 101.153
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.650 - 1.700
R-factor	0.18312
Rwork	0.182
R-free	0.21342
RMSD bond length	0.011
RMSD bond angle	1.411
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.044	0.023	0.658
Number of reflections	41358
<I/σ(I)>	11.3
Completeness [%]	99.9	99.5	100
Redundancy	5.6	5.4	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1 M HEPES sodium pH 7.5, 20% w/v polyethylene glycol 4,000, 10% v/v 2-Propanol , VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1 M HEPES sodium pH 7.5, 20% w/v polyethylene glycol 4,000, 10% v/v 2-Propanol , VAPOR DIFFUSION, HANGING DROP, temperature 293K