1C3S

CRYSTAL STRUCTURE OF AN HDAC HOMOLOG COMPLEXED WITH SAHA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	103
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV
Spacegroup name	C 1 2 1
Unit cell lengths	51.495, 94.155, 78.977
Unit cell angles	90.00, 97.02, 90.00

Refinement procedure

Resolution	20.000 - 2.500
R-factor	0.2 *
Rwork	0.200
R-free	0.27700
RMSD bond length	0.009 *
RMSD bond angle	1.580 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.500
Rmerge	0.086
Total number of observations	27568 *
Number of reflections	11748 *
Completeness [%]	90.6
Redundancy	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	298	used to seeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	tert-butanol	23 (%)
2	1	reservoir	PEG1500	27 (%)
3	1	reservoir		600 (mM)
4	1	reservoir	Bis-Tris propane-Cl	100 (mM)