1Q17

Structure of the yeast Hst2 protein deacetylase in ternary complex with 2'-O-acetyl ADP ribose and histone peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Collection date	2003-02-20
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9
Spacegroup name	C 1 2 1
Unit cell lengths	146.159, 109.682, 85.825
Unit cell angles	90.00, 104.90, 90.00

Refinement procedure

Resolution	28.880 - 2.700
R-factor	0.186
Rwork	0.186
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1q14
RMSD bond length	0.007
RMSD bond angle	1.350 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.066	0.207
Number of reflections	35492 *
<I/σ(I)>	15	10.9
Completeness [%]	98.8	99.9
Redundancy	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7 *	293	(NH4)2SO4, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8 (mg/ml)
2	1	reservoir	ammonium sulfate	1.2-1.4 (M)
3	1	reservoir	HEPES	50 (mM)	pH7.0
4	1	reservoir		10 (mM)