6CGP

Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with MAIP-032

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 2 21 21
Unit cell lengths	45.310, 64.950, 140.499
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.077 - 2.500
R-factor	0.2155
Rwork	0.213
R-free	0.26640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5eem
RMSD bond length	0.002
RMSD bond angle	0.700
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.250	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.220
Rpim	0.109	0.782
Number of reflections	14843	7253
<I/σ(I)>	5.7
Completeness [%]	99.3
Redundancy	4.8
CC(1/2)	0.988	0.476

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	10 mg/mL ZCD2, MES, pH 6.0, 14% w/v PEG4000, crystals appeared within 2 days