7QNO

Crystal structure of ligand-free Danio rerio HDAC6 CD1 CD2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-30
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.0
Spacegroup name	P 32 2 1
Unit cell lengths	186.134, 186.134, 102.442
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	63.340 - 2.380
R-factor	0.2132
Rwork	0.212
R-free	0.22780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5g0h
RMSD bond length	0.004
RMSD bond angle	0.720
Data reduction software	autoPROC
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX ((1.19.1_4122: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	93.067	2.683
High resolution limit [Å]	2.377	2.377
Rmerge	0.153	2.331
Rpim	0.035	0.533
Number of reflections	44105	2206
<I/σ(I)>	15.7
Completeness [%]	95.2	73.3
Redundancy	20.4	19.6
CC(1/2)	0.999	0.488

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	2.27 M sodium formate