7MIQ

Crystal structure of a Glutathione S-transferase class Gtt2 of Vibrio parahaemolyticus (VpGSTT2)

Replaces:  6ED8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.181
Spacegroup name	P 1 21 1
Unit cell lengths	56.254, 50.411, 69.620
Unit cell angles	90.00, 90.14, 90.00

Refinement procedure

Resolution	40.830 - 1.920
R-factor	0.1649
Rwork	0.163
R-free	0.20830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3erf
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX (1.19.1_4122)
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.830	2.240
High resolution limit [Å]	1.920	1.920
Rmerge	0.060	0.260
Number of reflections	29129	3971
<I/σ(I)>	5.8
Completeness [%]	98.8	96.9
Redundancy	5.2	5
CC(1/2)	0.998	0.943

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	289	0.2 M ammonium sulfate, 0.1 M Bis-tris buffer pH 6.5, 30% w/v polyethylene glycol 3350