3C0Z

Crystal structure of catalytic domain of human histone deacetylase HDAC7 in complex with SAHA

Replaces:  2PQO

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2006-09-20
Detector	ADSC QUANTUM 315
Wavelength(s)	1.10000
Spacegroup name	P 32
Unit cell lengths	81.825, 81.825, 148.867
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.000 - 2.100
R-factor	0.19903
Rwork	0.197
R-free	0.24291
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2NVR
RMSD bond length	0.018
RMSD bond angle	1.707
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.049	0.277
Number of reflections	60749
<I/σ(I)>	23.8	3.7
Completeness [%]	93.5	86.4
Redundancy	3.2	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	300	20 % PEG 3350, 0.1 M HEPES pH 7.5, 10 % Isopropanol, VAPOR DIFFUSION, SITTING DROP, temperature 300K