1CM0

CRYSTAL STRUCTURE OF THE PCAF/COENZYME-A COMPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV
Spacegroup name	P 64
Unit cell lengths	97.000, 97.000, 77.850
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.300
Rwork	0.223
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	APOTGCN5
RMSD bond length	0.007
RMSD bond angle	23.000 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.700
High resolution limit [Å]	2.300	2.300
Rmerge	0.040 *	0.155 *
Total number of observations	94731 *
Number of reflections	17943
<I/σ(I)>	18	4.8
Completeness [%]	96.5	99.8
Redundancy	5.3	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	20 *	drop consists of equal amounts of protein and reservoir solutions *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	cofactor		2-fold molar excess
3	1	reservoir		1.3-1.6 (M)
4	1	reservoir	Tris-HCl	0.1 (M)