5VN5

Crystal structure of LigY from Sphingobium sp. strain SYK-6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-23
Detector	RAYONIX MX300HE
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	60.020, 195.361, 178.249
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.614 - 1.900
R-factor	0.1638
Rwork	0.162
R-free	0.18900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.853
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.5.14)
Phasing software	PHASER (2.5.5)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	59.420	59.420	1.940
High resolution limit [Å]	1.900	9.870	1.900
Rmerge	0.080	0.039	0.515
Rmeas	0.087	0.043	0.563
Rpim	0.035	0.018	0.226
Number of reflections	82888
<I/σ(I)>	13.2
Completeness [%]	100.0	99.3	100
Redundancy	6.2	5.3	6.1
CC(1/2)	0.998	0.998	0.825

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	0.1 M Tris-Cl, pH 7.5, 0.2 M lithium sulfate, ~24% PEG 4000