4YAV

Crystal structure of LigG in complex with B-glutathionyl-acetoveratrone (GS-AV) from Sphingobium sp. strain SYK-6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97741
Spacegroup name	P 32 2 1
Unit cell lengths	64.543, 64.543, 120.880
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.037 - 1.401
R-factor	0.1402
Rwork	0.139
R-free	0.16420
RMSD bond length	0.013
RMSD bond angle	1.558
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall
Low resolution limit [Å]	41.037
High resolution limit [Å]	1.400
Number of reflections	58125
<I/σ(I)>	23.8
Completeness [%]	100.0
Redundancy	10.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	0.1 M Bis-Tris propane pH 7.0, 1.5 M Ammonium Sulfate