1VKG

Crystal Structure of Human HDAC8 complexed with CRA-19156

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-12-05
Detector	RIGAKU RAXIS IV++
Spacegroup name	P 21 21 21
Unit cell lengths	82.630, 92.710, 98.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	7.000 - 2.200
Rwork	0.237
R-free	0.30400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1t64
RMSD bond length	0.018
RMSD bond angle	3.800
Data reduction software	Crystal
Data scaling software	CrystalClear ((MSC/RIGAKU))
Phasing software	X-SIGHT
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.740	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.092	0.342
Number of reflections	37725
<I/σ(I)>	6.4	1.7
Completeness [%]	96.2	80.7
Redundancy	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	PEG 3350, 0.2M KCl, pH 6.8-7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K