7SGI

Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Inhibitor 14

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97911
Spacegroup name	P 31 2 1
Unit cell lengths	80.500, 80.500, 246.632
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	69.710 - 2.150
R-factor	0.1916
Rwork	0.190
R-free	0.22230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5td7
RMSD bond length	0.007
RMSD bond angle	0.898
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.710	2.210
High resolution limit [Å]	2.150	2.150
Rmerge	0.136	1.168
Rpim	0.068	0.631
Number of reflections	51497	4158
<I/σ(I)>	10.8	2.1
Completeness [%]	100.0
Redundancy	9.3
CC(1/2)	0.994	0.574

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	10 mg/mL HDAC10, 2 mM Inhibitor 14, 1:1000 trypsin:HDAC10, 0.131 M Sodium Phosphate Monobasic, 0.044 M Sodium Phosphate Dibasic, 3% (v/v) glycerol, and 20% (w/v) PEG3350