1TT4

Structure of NP459575, a predicted glutathione synthase from Salmonella typhimurium

Experimental procedure

Experimental method	SIRAS
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	170
Detector technology	CCD
Collection date	2004-04-03
Detector	CUSTOM-MADE
Wavelength(s)	1.00800
Spacegroup name	I 2 3
Unit cell lengths	188.929, 188.929, 188.929
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.920 - 2.801
R-factor	0.21132
Rwork	0.209
R-free	0.25768
Structure solution method	SIRAS
RMSD bond length	0.009
RMSD bond angle	1.176
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.084	0.314
Number of reflections	27578
<I/σ(I)>	30	9.8
Completeness [%]	100.0	100
Redundancy	15	15

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	Drop- 50 mM Na cacodylate pH 6.5, 5 mM Tris pH 8.3, 0.125 M NaCl, 0.1 M MgS, 10 % PEG 4000, 5 mg/ml protein. Well- 0.1 M Na cacodylate pH 6.5, 0.2 M MgS, 20 % PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	Drop- 50 mM Na cacodylate pH 6.5, 5 mM Tris pH 8.3, 0.125 M NaCl, 0.1 M MgS, 10 % PEG 4000, 5 mg/ml protein. Well- 0.1 M Na cacodylate pH 6.5, 0.2 M MgS, 20 % PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 277K