3SHG

VBHT Fic protein from BARTONELLA SCHOENBUCHENSIS in complex with VBHA antitoxin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-14
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	106.338, 40.371, 73.791
Unit cell angles	90.00, 121.40, 90.00

Refinement procedure

Resolution	15.000 - 1.500
R-factor	0.181
Rwork	0.180
R-free	0.21500
RMSD bond length	0.012
RMSD bond angle	1.284
Data reduction software	MOSFLM
Data scaling software	SCALA (CCP4_3.3.16 2010/01/06)
Phasing software	PHENIX
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.210	45.210	1.580
High resolution limit [Å]	1.500	4.740	1.500
Rmerge	0.063	0.030	0.240
Total number of observations		5586	9438
Number of reflections	41211
<I/σ(I)>	9.0538	16.59	3.11
Completeness [%]	96.2	99.15	74.81
Redundancy	3.77	3.94	2.04

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	23% w/v PEG 3350, 0.2M di-ammonium tartrate, vapor diffusion, hanging drop, temperature 293K