3O6X

Crystal Structure of the type III Glutamine Synthetase from Bacteroides fragilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2009-05-21
Detector	MAATEL MDII
Wavelength(s)	0.954
Spacegroup name	C 2 2 21
Unit cell lengths	198.250, 203.960, 234.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.870 - 3.500
Rwork	0.239
R-free	0.26900
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.400
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Phasing software	PHENIX
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	62.869	62.869	3.690
High resolution limit [Å]	3.500	11.070	3.500
Rmerge	0.208	0.034	0.472
Total number of observations		14878	68419
Number of reflections	60104
<I/σ(I)>	11.2	18.1	1.6
Completeness [%]	100.0	99.5	100
Redundancy	7.8	7.3	7.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	modified microbatch	4.6	298	50 mM ammonium sulphate, 25 mM sodium acetate trihydrate pH 4.6, and 6.25% PEG 4000, modified microbatch, temperature 298K
1	modified microbatch	4.6	298	50 mM ammonium sulphate, 25 mM sodium acetate trihydrate pH 4.6, and 6.25% PEG 4000, modified microbatch, temperature 298K