2GH6

Crystal structure of a HDAC-like protein with 9,9,9-trifluoro-8-oxo-N-phenylnonan amide bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Detector technology	IMAGE PLATE
Detector	RIGAKU
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	68.507, 94.897, 123.301
Unit cell angles	90.00, 104.28, 90.00

Refinement procedure

Resolution	39.840 - 2.203
R-factor	0.16082
Rwork	0.158
R-free	0.21419
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zz1
RMSD bond length	0.015
RMSD bond angle	1.559
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.840	2.260
High resolution limit [Å]	2.203	2.203
Number of reflections	76561
Completeness [%]		92.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	NaCl, Na-cacodylate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K