4YK1

Crystal Structure of the BID Domain of Bep6 from Bartonella rochalimae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-01
Detector	RAYONIX MX-300
Wavelength(s)	0.979490
Spacegroup name	P 41 2 2
Unit cell lengths	79.250, 79.250, 85.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.945 - 2.100
R-factor	0.1784
Rwork	0.177
R-free	0.20310
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.925
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	9.390	2.150
High resolution limit [Å]	2.100	6.640	2.100
Rmerge	0.070	0.028	0.582
Rmeas	0.072	0.029	0.601
Total number of observations	473778
Number of reflections	16570	626	2236
<I/σ(I)>	29.98	75.22	5.32
Completeness [%]	100.0	100	100
Redundancy	15.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	1:1 19.68 mg/mL protein and MCSG3(a1) (0.1 M sodium cacodylate/HCl, pH 6.5, 1 M sodium citrate tribasic), cryoprotectant: 20% ethylene glycol