5VGL

Crystal structure of lachrymatory factor synthase from Allium cepa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	80
Detector technology	PIXEL
Collection date	2016-08-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	39.072, 40.127, 98.514
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.162 - 1.400
R-factor	0.1537
Rwork	0.152
R-free	0.18870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3f08
RMSD bond length	0.008
RMSD bond angle	0.938
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.130	1.480
High resolution limit [Å]	1.400	1.400
Number of reflections	34456	9045
<I/σ(I)>	8.4	1.8
Completeness [%]	97.8	94.5
Redundancy	4.1	4
CC(1/2)	0.995	0.620

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	298	0.1 M sodium acetate, pH 4.5 containing PEG 3350 at concentrations between 25%-32% (w/v).