3TR3

Structure of a bolA protein homologue from Coxiella burnetii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4C
Synchrotron site	NSLS
Beamline	X4C
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-29
Detector	MAR CCD 165 mm
Wavelength(s)	0.979
Spacegroup name	P 31 2 1
Unit cell lengths	66.245, 66.245, 118.009
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.132 - 2.456
R-factor	0.1881
Rwork	0.186
R-free	0.21980
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.364
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.490
High resolution limit [Å]	2.450	6.650	2.450
Rmerge	0.088	0.046	0.402
Number of reflections	11190
<I/σ(I)>	9.3
Completeness [%]	97.8	94.8	88.2
Redundancy	5.3	5.5	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	0.1M MES pH 6.5 1.8M ammonium sulphate 0.010M cobalt chloride, VAPOR DIFFUSION, SITTING DROP, temperature 295K
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	0.1M MES pH 6.5 1.8M ammonium sulphate 0.010M cobalt chloride, VAPOR DIFFUSION, SITTING DROP, temperature 295K