6VVQ

Human START domain of Acyl-coenzyme A thioesterase 11 (ACOT11) bound to Myristic Acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	65.082, 70.984, 127.224
Unit cell angles	90.00, 96.13, 90.00

Refinement procedure

Resolution	42.990 - 3.090
R-factor	0.2231
Rwork	0.221
R-free	0.26320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fo5
RMSD bond length	0.002
RMSD bond angle	0.460
Data scaling software	HKL-2000 (1.14_3260)
Phasing software	PHENIX (1.14_3260)
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.210
High resolution limit [Å]	3.100	3.100
Rmeas	0.304
Rpim	0.121	0.710
Number of reflections	21217	2083
<I/σ(I)>	11.3
Completeness [%]	99.3	99.7
Redundancy	5.8
CC(1/2)		0.647

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.4	277.15	0.1 M Tris HCl pH 9.4 and 27 % PEG 8000