4PY3

Crystal Structure of the N-terminal FIC domain of Bep8 protein (VirB-translocated Bartonella effector protein) from Bartonella sp. 1-1C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2014-02-12
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 1 21 1
Unit cell lengths	55.810, 324.160, 86.130
Unit cell angles	90.00, 109.24, 90.00

Refinement procedure

Resolution	50.000 - 2.350
R-factor	0.24273
Rwork	0.242
R-free	0.25873
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nps
RMSD bond length	0.009
RMSD bond angle	1.244
Data scaling software	XSCALE
Phasing software	PHASER (2.5.6)
Refinement software	REFMAC (5.8.0069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.410
High resolution limit [Å]	2.350	10.510	2.350
Rmerge	0.080	0.025	0.569
Number of reflections	118369
<I/σ(I)>	13.28	37.73	2.4
Completeness [%]	99.0	96	99.2
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	JCSG+(f12): 30% Jeffamine M-600, pH=7.0, 100mM HEPES free acid/ NaOH, VAPOR DIFFUSION, SITTING DROP, temperature 289K