4YK3

Crystal Structure of the BID Domain of BepE from Bartonella henselae

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	2014-02-20
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 1 21 1
Unit cell lengths	58.070, 77.420, 67.510
Unit cell angles	90.00, 93.66, 90.00

Refinement procedure

Resolution	42.611 - 2.200
R-factor	0.1849
Rwork	0.183
R-free	0.22480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yk2
RMSD bond length	0.008
RMSD bond angle	0.974
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MR-Rosetta
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.260
High resolution limit [Å]	2.200	9.840	2.200
Rmerge	0.044	0.015	0.529
Rmeas	0.050	0.017	0.596
Total number of observations	140015
Number of reflections	30337	341	2230
<I/σ(I)>	23.49	75.27	2.91
Completeness [%]	99.8	94.5	99.9
Redundancy	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	1:1 28.3 mg/mL protein and MCSG1(a9) (25% PEG3350, 0.1 M HEPES/NaOH, pH 7.5, 0.2 M magnesium chloride), cryoprotectant: 20% ethylene glycol