4MF7

Crystal structure of glutathione transferase BBTA-3750 from Bradyrhizobium sp., Target EFI-507290

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-08-16
Detector	RAYONIX MX225HE
Spacegroup name	C 2 2 21
Unit cell lengths	78.526, 88.951, 78.127
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.800
R-factor	0.17821
Rwork	0.177
R-free	0.21858
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ikh
RMSD bond length	0.011
RMSD bond angle	1.361
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.071	0.800
Number of reflections	25702
<I/σ(I)>	13.8	2.8
Completeness [%]	99.9	100
Redundancy	7.4	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	298	protein in 10 MM HEPES, pH 7.5, 150 mM sodium chloride, 5% glycerol, reservoir: 0.2 M potassium nitrate, pH 6.9, 20% PEG3350, cryoprotectant: 20% diethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 298K