6VFY

Crystal structure of mouse acyl-CoA thioesterase 7 with CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95372
Spacegroup name	P 1 21 1
Unit cell lengths	67.156, 135.331, 70.126
Unit cell angles	90.00, 100.57, 90.00

Refinement procedure

Resolution	29.770 - 2.600
R-factor	0.2327
Rwork	0.231
R-free	0.26760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zv3
Data reduction software	HKL-2000
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.770	29.770	2.720
High resolution limit [Å]	2.600	9.010	2.600
Rmerge	0.083	0.048	1.521
Rmeas	0.090	0.052	1.636
Rpim	0.033	0.019	0.598
Total number of observations	269468	6476	33592
Number of reflections	37634	915	4555
<I/σ(I)>	11.4	30.6	1.3
Completeness [%]	99.5	97.3	99
Redundancy	7.2	7.1	7.4
CC(1/2)	0.998	0.998	0.715

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		303	0.1M Ammonium citrate pH 7, 10% PEG3350