4N4U

Crystal structure of ABC transporter solute binding protein BB0719 from Bordetella bronchiseptica RB50, TARGET EFI-510049

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-18
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 21
Unit cell lengths	59.568, 68.532, 153.008
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.570
R-factor	0.177
Rwork	0.176
R-free	0.21200
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.343
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	SHELX
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.600
High resolution limit [Å]	1.570	1.570
Rmerge		0.841
Number of reflections	168537
<I/σ(I)>	11.9	1.8
Completeness [%]	99.5	92.2
Redundancy	5	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5		PROTEIN IN 10 MM HEPES, PH 7.5, 150 MM SODIUM CHLORIDE, 5% GLYCEROL, RESERVOIR: 0.1M BIS-TRIS:HCL, 28% PEG2000 MME, VAPOR DIFFUSION, SITTING DROP