4G10

LigG from Sphingobium sp. SYK-6 is related to the glutathione transferase omega class

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.98007, 0.98020, 0.97856
Spacegroup name	P 41 21 2
Unit cell lengths	56.801, 56.801, 183.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.164 - 1.200
R-factor	0.1404
Rwork	0.140
R-free	0.15470
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	1.443
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	SHELXCD
Refinement software	PHENIX ((phenix.refine: 1.8_1065))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.267	1.270
High resolution limit [Å]	1.200	1.200
Rmerge	0.058	0.048
Number of reflections	93417
<I/σ(I)>	16.8	4
Completeness [%]	98.3	96.7
Redundancy	6.8	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microbatch under oil	4.6	277	1.5 microliters protein (19 mg/mL) + 1.5 microliters (0.2 M ammonium sulfate, 0.1M sodium acetate trihydrate pH 4.6, 25% polyethylene glycol 4000), Microbatch under oil, temperature 277K