8JY1

Structure of Mangifera Indica Epoxide hydrolase 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-14
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	99.040, 99.040, 172.784
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.600 - 2.400
R-factor	0.1776
Rwork	0.176
R-free	0.20930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.459
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.600	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.099	0.907
Rmeas	0.104	0.943
Rpim	0.029	0.258
Total number of observations	447486	46837
Number of reflections	34442	3542
<I/σ(I)>	21.3	2.9
Completeness [%]	100.0
Redundancy	13	13.2
CC(1/2)	0.999	0.891

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	298	0.1M trisodium citrate, 0.2M ammonium acetate, 30%w/v PEG 4000