4YK2

Crystal Structure of the BID Domain of Bep9 from Bartonella clarridgeiae

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	2014-02-26
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 21 21 2
Unit cell lengths	76.680, 62.310, 71.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.844 - 2.050
R-factor	0.1732
Rwork	0.171
R-free	0.21370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yk1
RMSD bond length	0.007
RMSD bond angle	0.983
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		2.100
High resolution limit [Å]	2.050	9.170	2.050
Rmerge	0.061	0.018	0.548
Rmeas	0.068	0.021	0.611
Total number of observations	106806
Number of reflections	21863	259	1597
<I/σ(I)>	19.33	59.59	3.18
Completeness [%]	99.2	85.5	99.3
Redundancy	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	289	1:1 24.7 mg/mL protein and MCSG1(c8) (0.2 M ammonium sulfate, 0.1 M sodium citrate/HCl, pH 5.6, 25% PEG4000), cryoprotectant: 20% ethylene glycol