6RJK

Structure of virulence factor SghA from Agrobacterium tumefaciens

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-10-30
Detector	DECTRIS PILATUS3 R CdTe 300K-W
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	64.240, 80.390, 184.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.428 - 1.922
R-factor	0.1756
Rwork	0.174
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1np2
RMSD bond length	0.008
RMSD bond angle	1.088
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.100
High resolution limit [Å]	1.900	1.920
Rmerge	0.100	0.470
Rmeas	0.110	0.660
Rpim	0.070	0.450
Number of reflections	73481	4498
<I/σ(I)>	8.8	2.5
Completeness [%]	99.7	100
Redundancy	3.4	3.4
CC(1/2)	0.990	0.710

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20% (w/v) PEG 3350 and 0.4 M ammonium formate