4WGJ

Crystal Structure of BepC protein (VirB-translocated Bartonella effector protein) with bound AMPPNP from Bartonella tribocorum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2014-09-12
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	59.330, 92.020, 45.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.010 - 1.700
R-factor	0.1653
Rwork	0.164
R-free	0.19290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4n67
RMSD bond length	0.006
RMSD bond angle	1.011
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1803))

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	0.050	0.022	0.465
Rmeas	0.056	0.025	0.606
Total number of observations	126835
Number of reflections	28113	374	1914
<I/σ(I)>	20.88	71.29	2.1
Completeness [%]	99.2	99.7	92.1
Redundancy	4.5		2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	at 22.75mg/ml, incubated with 8mM each MgCl2 and AMPPNP, then 1:1 with Morpheus(H2): 10% PEG-8000, 20% ethylene glycol, 0.1M MES/imidazole, pH=6.5, 0.02M each sodium L-glutamate, DL-alanine, glycine, DL-lysine, DL-serine