5HSG

Crystal structure of an ABC transporter Solute Binding Protein from Klebsiella pneumoniae (KPN_01730, target EFI-511059), APO open structure

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	2015-10-20
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	39.548, 48.800, 157.115
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.725 - 1.300
R-factor	0.1512
Rwork	0.150
R-free	0.17400
RMSD bond length	0.009
RMSD bond angle	1.242
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	SHELX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	1.320
High resolution limit [Å]	1.300	3.530	1.300
Rmerge	0.092	0.066	0.876
Rmeas	0.095	0.069	0.910
Rpim	0.026	0.019	0.242
Total number of observations	902355
Number of reflections	70639
<I/σ(I)>	8.2
Completeness [%]	93.0	99.1	87.2
Redundancy	12.8	13.5	13.2
CC(1/2)		0.995	0.860

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	Protein (10 mM HEPES pH 7.5, 5 mM DTT, 10 mM L-sorbitol); Reservoir (MCSG1 B4)(0.2 M Magnesium Chloride, 0.1 M Bis-Tris pH 6.5, 25 %(w/v) PEG 3350); Cryoprotection (20% Diethylene Glycol, 80% Reservoir)