5IO8

Salmonella Typhimurium VirG-like (STV) protein at 2.19 Angstrom resolution solved by Iodine SAD.

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	2015-02-13
Detector	MAR CCD 225
Wavelength(s)	1.771
Spacegroup name	P 21 21 2
Unit cell lengths	60.115, 60.277, 62.603
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.302 - 2.192
R-factor	0.2085
Rwork	0.204
R-free	0.24540
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.193
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.230
High resolution limit [Å]	2.190	5.940	2.190
Rmerge	0.058	0.038	0.403
Number of reflections	22529
<I/σ(I)>	13.2
Completeness [%]	99.8	99.6	99
Redundancy	7.5	7.7	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	1.8 M Sodium phosphate monobasic monohydrate, potassium phosphate dibasic. pH=4.6-5.2. Crystal was soaked in 100mM Sodium Iodide for 5 minutes before flash freezing.