4LGO

Crystal Structure of N-terminal domain 1 of VompD from Bartonella quintana

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-05
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9786
Spacegroup name	C 1 2 1
Unit cell lengths	120.030, 37.110, 109.780
Unit cell angles	90.00, 119.43, 90.00

Refinement procedure

Resolution	50.000 - 1.700
R-factor	0.1679
Rwork	0.167
R-free	0.18830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3d9x
RMSD bond length	0.010
RMSD bond angle	1.376
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge	0.036	0.018	0.481
Number of reflections	46707	526	3446
<I/σ(I)>	20.83	53.02	2.72
Completeness [%]	99.4	89.8	99.8
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.6	289	Wizard3/4_b12: 2M Ammonium Sulfate, 0.1M Sodium Acetate/HCl, pH=4.6, VAPOR DIFFUSION, temperature 289K