5EU0

FIC domain of Bep1 from Bartonella rochalimae in complex with BiaA

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	P 43 21 2
Unit cell lengths	73.130, 73.130, 130.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.600
R-factor	0.19
Rwork	0.189
R-free	0.21100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3shg
RMSD bond length	0.010
RMSD bond angle	0.880
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER-TNT (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.100	1.640
High resolution limit [Å]	1.600	1.600
Rmerge	0.140	0.027
Rmeas	0.146	0.028
Total number of observations	547927
Number of reflections	47293	633
<I/σ(I)>	16.29	1.31
Completeness [%]	99.9	98.5
Redundancy	11.6	9.1
CC(1/2)	0.999	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277.15	0.2M HEPES pH7.5, 2.3M AMMONIUM SULFATE, 2% v/v PEG 400