3TMG

Crystal structure of Glycine betaine, L-proline ABC transporter, glycine/betaine/L-proline-binding protein (ProX) from Borrelia burgdorferi

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	2011-03-07
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.978560
Spacegroup name	P 1
Unit cell lengths	52.400, 56.750, 107.060
Unit cell angles	92.30, 102.40, 105.25

Refinement procedure

Resolution	49.160 - 1.900
R-factor	0.177
Rwork	0.175
R-free	0.21400
Structure solution method	MR
RMSD bond length	0.015
RMSD bond angle	1.569
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.160	8.500	1.950
High resolution limit [Å]	1.900	6.010	1.900
Rmerge	0.086	0.034	0.447
Number of reflections	88358	1840	6512
<I/σ(I)>	17.74	39.5	3.6
Completeness [%]	96.9	98.7	95.7
Redundancy	3.9		3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	290	EBS internal tracking number 220361B9.PACT B9: 0.2 M LiCl, 0.1 M MES pH 6, 20% PEG 6000. BobuA.17327.a.A2 PW31644 at 26 mg/mL, vapor diffusion, sitting drop, temperature 290K, VAPOR DIFFUSION, SITTING DROP