3CBU

Crystal structure of a putative glutathione s-transferase (reut_a1011) from ralstonia eutropha jmp134 at 2.05 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-01-22
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97879, 0.97935
Spacegroup name	P 43 2 2
Unit cell lengths	106.840, 106.840, 113.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.683 - 2.050
R-factor	0.173
Rwork	0.171
R-free	0.20700
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.525
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.4.0067)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.683	29.683	2.120
High resolution limit [Å]	2.050	4.400	2.050
Rmerge	0.078	0.026	0.605
Number of reflections	41838	7960	7234
<I/σ(I)>	14.28	42	2.4
Completeness [%]	99.5	99.2	95.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	11	277	NANODROP, 0.2M Lithium sulfate, 0.79M Sodium dihydrogen phosphate, 0.891M Di-potassium hydrogen phosphate, 0.1M CAPS pH 11.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K