2ES9

Crystal structure of Q8ZRJ2 from salmonella typhimurium. NESG TARGET STR65

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-09-01
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97915, 0.97944, 0.96801
Spacegroup name	I 21 3
Unit cell lengths	88.233, 88.233, 88.233
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.810 - 2.000
R-factor	0.242
Rwork	0.242
R-free	0.26000
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	1.100
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.097	0.560
Number of reflections	9163
Completeness [%]	99.8	100
Redundancy	42.8	40

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP			VAPOR DIFFUSION, HANGING DROP