7Q1B

Crystal structure of Trypanosoma cruzi histone deacetylase DAC2 complexed with Quisinostat

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-16
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.00004
Spacegroup name	I 2 2 2
Unit cell lengths	82.167, 93.584, 119.462
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.790 - 1.750
R-factor	0.1936
Rwork	0.192
R-free	0.21820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1t67
RMSD bond length	0.006
RMSD bond angle	0.743
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.19rc4_4035)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.810
High resolution limit [Å]	1.700	1.700
Rmerge	0.110	2.387
Number of reflections	50638	8053
<I/σ(I)>	14.2	1
Completeness [%]	99.9
Redundancy	13.3	13
CC(1/2)	0.999	0.674

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	5%(W/V) PEG 6000, 0.1 M Hepes pH 7.0