3TQW

Structure of a ABC transporter, periplasmic substrate-binding protein from Coxiella burnetii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-21
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	96.787, 112.216, 100.236
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.588 - 2.000
R-factor	0.171
Rwork	0.170
R-free	0.19520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.920
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.030
High resolution limit [Å]	2.000	5.420	2.000
Rmerge	0.083	0.038	0.405
Number of reflections	37071
<I/σ(I)>	8.5
Completeness [%]	99.8	97.2	100
Redundancy	7.1	6.9	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	0.1M sodium cacodylate, 2M ammonium sulphate, 0.2M sodium chloride, pH 6.5, vapor diffusion, sitting drop, temperature 277K