1Q1A

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	H 3
Unit cell lengths	98.421, 98.421, 77.254
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.740 - 1.500
R-factor	0.183
Rwork	0.183
R-free	0.20900 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1q14
RMSD bond length	0.005
RMSD bond angle	1.220 *
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	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.049	0.172
Number of reflections	43331 *
<I/σ(I)>	20.9	4.2
Completeness [%]	96.9	93.9
Redundancy	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	294	PEG 4K, , pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 294K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir		0.2 (M)
3	1	reservoir	sodium citrate	100 (mM)	pH5.6
4	1	reservoir	PEG4000	25 (%)