6ECB

Vlm2 thioesterase domain wild type structure 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-09
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9794
Spacegroup name	P 4 3 2
Unit cell lengths	151.399, 151.399, 151.399
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	87.410 - 1.700
R-factor	0.1732
Rwork	0.172
R-free	0.18770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vsq
RMSD bond length	0.009
RMSD bond angle	1.011
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	151.400	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.063
Rmeas	0.066
Rpim	0.018
Number of reflections	64289	3000
<I/σ(I)>	21.8
Completeness [%]	98.3
Redundancy	12.3
CC(1/2)	1.000	0.502

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	295	1.65 M DL-malic acid, pH 9.5, 25 mM HEPES, pH 8.0, 100 mM sodium chloride, 0.2 mM TCEP