9VMF

Structure of endoperoxide isomerase NvfE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-18
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.1
Spacegroup name	P 21 21 21
Unit cell lengths	66.428, 97.978, 99.131
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.570 - 2.330
R-factor	0.1843
Rwork	0.181
R-free	0.22870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.851
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.570	2.410
High resolution limit [Å]	2.330	2.330
Rmerge	0.098	0.798
Number of reflections	28450	2685
<I/σ(I)>	13	2.2
Completeness [%]	99.7	97.3
Redundancy	6.7	6.8
CC(1/2)	0.998	0.758

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	200mM sodium malonate (pH 4.0), 8% (w/v) PEG 3350, 8% (v/v) Jeffamine-M600