1W22

Crystal structure of inhibited human HDAC8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Detector technology	CCD
Collection date	2003-10-19
Detector	ADSC CCD
Spacegroup name	P 1 21 1
Unit cell lengths	51.746, 83.532, 94.653
Unit cell angles	90.00, 97.48, 90.00

Refinement procedure

Resolution	50.000 - 2.500
Rwork	0.210
R-free	0.24990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1c3r
RMSD bond length	0.007
RMSD bond angle	1.414
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNX (2002)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.650
High resolution limit [Å]	2.500	2.500
Rmerge	0.060	0.450
Number of reflections	27172
<I/σ(I)>	9.2	1.3
Completeness [%]	98.1	98.7
Redundancy	8.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1