3LN6

Crystal structure of a bifunctional glutathione synthetase from Streptococcus agalactiae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7A
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-02-23
Detector	MAR CCD 165 mm
Wavelength(s)	1.0720
Spacegroup name	I 41 2 2
Unit cell lengths	143.020, 143.020, 211.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.950
Rwork	0.253
R-free	0.28600
Structure solution method	SIRAS, MR
Starting model (for MR)	1v4g 1uc8
RMSD bond length	0.014
RMSD bond angle	1.512
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SOLVE (2.13)
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.980
High resolution limit [Å]	2.900	2.900
Rmerge	0.077	0.132
Number of reflections	24531	1765
<I/σ(I)>	23.9	1.8
Completeness [%]	99.6	98.1
Redundancy	8.4	8.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	1.6M (NH4)2SO4, 100mM Tris-HCl pH 8.5, 12% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	1.6M (NH4)2SO4, 100mM Tris-HCl pH 8.5, 12% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 298K