5OCP

The periplasmic binding protein component of the arabinose ABC transporter from Shewanella sp. ANA-3 bound to alpha and beta-L-arabinofuranose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	120
Detector technology	PIXEL
Collection date	2017-05-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	73.917, 86.327, 87.282
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.640 - 1.700
R-factor	0.1687
Rwork	0.167
R-free	0.20430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vk2
RMSD bond length	0.020
RMSD bond angle	2.034
Data scaling software	Aimless (0.5.32)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.640	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.082	0.597
Rmeas	0.088	0.643
Rpim	0.032	0.237
Number of reflections	62122
<I/σ(I)>	3.77
Completeness [%]	100.0	99.9
Redundancy	7.4	7.1
CC(1/2)	0.998	0.903

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M Ammonium Nitrate, pH 6.2, 20 % PEG 3,350