4X9T

Crystal structure of a TctC solute binding protein from Polaromonas (Bpro_3516, Target EFI-510338), no ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-12
Detector	RAYONIX MX-225
Wavelength(s)	0.97931
Spacegroup name	P 21 21 21
Unit cell lengths	31.976, 79.244, 111.583
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.810 - 1.240
R-factor	0.1647
Rwork	0.163
R-free	0.18970
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	1.027
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	1.260
High resolution limit [Å]	1.240	3.370	1.240
Rmerge	0.081	0.046	0.871
Total number of observations	500010
Number of reflections	71858
<I/σ(I)>	9.2
Completeness [%]	88.1	98.3	89.1
Redundancy	7	9.7	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	Protein (77.6 mg/ml, 10 mM HEPES pH 7.5, 5 mM DTT), Reservoir (MCSG 1, H10, 0.1 M HEPES pH 7.5, 25 %(w/v) PEG 3350), Cryoprotection (Reservoir,dehydrated)