9D1J

The alpha-E7 carboxylesterase from Cochliomyia hominivorax

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	2018-04-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	59.572, 92.559, 106.076
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.300 - 2.030
R-factor	0.2004
Rwork	0.198
R-free	0.24040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.802
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.300	2.080
High resolution limit [Å]	2.030	2.030
Rmerge	0.159	2.952
Rmeas	0.166	3.106
Rpim	0.048	0.955
Total number of observations	422995	28427
Number of reflections	38695	2806
<I/σ(I)>	8.7	1
Completeness [%]	100.0
Redundancy	10.9	10.1
CC(1/2)	0.998	0.545

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	20-25% PEG 3350, 0.1M MES pH 6.5