3LN7

Crystal structure of a bifunctional glutathione synthetase from Pasteurella multocida

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
Detector	MAR CCD 165 mm
Wavelength(s)	0.9793
Spacegroup name	C 1 2 1
Unit cell lengths	205.240, 87.070, 145.980
Unit cell angles	90.00, 126.53, 90.00

Refinement procedure

Resolution	20.000 - 3.200
Rwork	0.275
R-free	0.31400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	GshF from Streptococcus agalactiae
RMSD bond length	0.014
RMSD bond angle	1.475
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	3.280
High resolution limit [Å]	3.200	3.200
Rmerge	0.084	0.455
Number of reflections	33404	1721
<I/σ(I)>	13.22	2.7
Completeness [%]	96.3	67.7
Redundancy	3.6	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	10-15% PEG 3350, 0.2M KSCN, 100mM Na/K phosphate, pH7.0-7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K